USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 THR OG1 : rot 121:sc= 0.542 USER MOD Set 1.2: A 49 SER OG : rot 75:sc= 2.22 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.241 K(o=1.5,f=-3.1!) USER MOD Set 2.2: A 38 THR OG1 : rot 84:sc= 1.27 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -163:sc= 1.92 (180deg=0.699) USER MOD Set 3.2: A 27 THR OG1 : rot -123:sc= 1.99 USER MOD Set 4.1: A 22 LYS NZ :NH3+ 141:sc= 0.189 (180deg=-0.0512) USER MOD Set 4.2: A 23 ASN : amide:sc= -3.05! C(o=-2.9!,f=-3.2!) USER MOD Single : A 8 THR OG1 : rot -2:sc= 0.644 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.17 K(o=1.2,f=-1.1!) USER MOD Single : A 16 GLN : amide:sc= -0.0365 X(o=-0.037,f=-0.5) USER MOD Single : A 17 THR OG1 : rot 157:sc= 0.516 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.48 K(o=-0.48,f=-7.3!) USER MOD Single : A 29 ASN : amide:sc= 1.16 K(o=1.2,f=-0.01) USER MOD Single : A 32 LYS NZ :NH3+ -145:sc= 1.28 (180deg=1.01) USER MOD Single : A 34 GLN : amide:sc= -1.66 K(o=-1.7,f=-5.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 34:sc= 0.0621 USER MOD Single : A 42 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.18) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 151:sc= 0.479 (180deg=-0.881!) USER MOD Single : A 57 MET CE :methyl 162:sc= -2.71 (180deg=-2.76!) USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00635 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 64 GLN : amide:sc=-0.00144 X(o=-0.0014,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -1.02 K(o=-1,f=-6.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 94 GLN : amide:sc= -0.399 K(o=-0.4,f=-1.1) USER MOD Single : A 99 GLN : amide:sc= 0.87 K(o=0.87,f=-0.0099) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.030 18.026 -0.929 1.00 22.12 N ATOM 83 CA THR A 8 0.058 16.750 -1.621 1.00 3.30 C ATOM 84 C THR A 8 -0.155 15.630 -0.595 1.00 2.31 C ATOM 85 O THR A 8 -0.196 15.896 0.612 1.00 22.21 O ATOM 86 CB THR A 8 1.419 16.628 -2.347 1.00 10.40 C ATOM 87 OG1 THR A 8 2.248 17.773 -2.207 1.00 24.40 O ATOM 88 CG2 THR A 8 1.198 16.416 -3.835 1.00 24.01 C ATOM 0 HA THR A 8 -0.713 16.672 -2.387 1.00 3.30 H new ATOM 0 HB THR A 8 1.921 15.781 -1.879 1.00 10.40 H new ATOM 0 HG1 THR A 8 1.774 18.459 -1.692 1.00 24.40 H new ATOM 0 HG21 THR A 8 2.162 16.331 -4.338 1.00 24.01 H new ATOM 0 HG22 THR A 8 0.626 15.502 -3.991 1.00 24.01 H new ATOM 0 HG23 THR A 8 0.648 17.263 -4.245 1.00 24.01 H new ATOM 96 N THR A 9 -0.267 14.380 -1.037 1.00 53.24 N ATOM 97 CA THR A 9 -0.336 13.202 -0.172 1.00 10.11 C ATOM 98 C THR A 9 1.033 12.500 -0.115 1.00 70.32 C ATOM 99 O THR A 9 2.021 13.028 -0.637 1.00 1.14 O ATOM 100 CB THR A 9 -1.500 12.296 -0.626 1.00 10.51 C ATOM 101 OG1 THR A 9 -1.856 12.437 -1.987 1.00 73.13 O ATOM 102 CG2 THR A 9 -2.741 12.559 0.207 1.00 61.24 C ATOM 0 H THR A 9 -0.314 14.151 -2.030 1.00 53.24 H new ATOM 0 HA THR A 9 -0.557 13.490 0.856 1.00 10.11 H new ATOM 0 HB THR A 9 -1.128 11.281 -0.485 1.00 10.51 H new ATOM 0 HG1 THR A 9 -1.765 11.573 -2.440 1.00 73.13 H new ATOM 0 HG21 THR A 9 -3.549 11.910 -0.130 1.00 61.24 H new ATOM 0 HG22 THR A 9 -2.525 12.356 1.256 1.00 61.24 H new ATOM 0 HG23 THR A 9 -3.041 13.601 0.094 1.00 61.24 H new ATOM 110 N THR A 10 1.128 11.361 0.577 1.00 52.31 N ATOM 111 CA THR A 10 2.272 10.452 0.529 1.00 50.15 C ATOM 112 C THR A 10 1.714 9.034 0.652 1.00 50.53 C ATOM 113 O THR A 10 0.622 8.848 1.201 1.00 72.15 O ATOM 114 CB THR A 10 3.289 10.725 1.660 1.00 11.11 C ATOM 115 OG1 THR A 10 3.350 12.101 1.996 1.00 31.14 O ATOM 116 CG2 THR A 10 4.707 10.268 1.284 1.00 5.13 C ATOM 0 H THR A 10 0.390 11.039 1.203 1.00 52.31 H new ATOM 0 HA THR A 10 2.813 10.595 -0.406 1.00 50.15 H new ATOM 0 HB THR A 10 2.933 10.151 2.515 1.00 11.11 H new ATOM 0 HG1 THR A 10 4.002 12.233 2.715 1.00 31.14 H new ATOM 0 HG21 THR A 10 5.388 10.480 2.108 1.00 5.13 H new ATOM 0 HG22 THR A 10 4.703 9.197 1.083 1.00 5.13 H new ATOM 0 HG23 THR A 10 5.038 10.803 0.394 1.00 5.13 H new ATOM 124 N ILE A 11 2.440 8.037 0.156 1.00 51.32 N ATOM 125 CA ILE A 11 2.062 6.633 0.207 1.00 24.32 C ATOM 126 C ILE A 11 3.302 5.879 0.692 1.00 53.11 C ATOM 127 O ILE A 11 4.419 6.265 0.354 1.00 64.41 O ATOM 128 CB ILE A 11 1.587 6.182 -1.193 1.00 52.23 C ATOM 129 CG1 ILE A 11 0.318 6.944 -1.648 1.00 25.20 C ATOM 130 CG2 ILE A 11 1.339 4.665 -1.197 1.00 11.32 C ATOM 131 CD1 ILE A 11 0.065 6.849 -3.156 1.00 65.33 C ATOM 0 H ILE A 11 3.336 8.191 -0.307 1.00 51.32 H new ATOM 0 HA ILE A 11 1.232 6.437 0.886 1.00 24.32 H new ATOM 0 HB ILE A 11 2.376 6.420 -1.907 1.00 52.23 H new ATOM 0 HG12 ILE A 11 -0.546 6.548 -1.115 1.00 25.20 H new ATOM 0 HG13 ILE A 11 0.412 7.993 -1.367 1.00 25.20 H new ATOM 0 HG21 ILE A 11 1.004 4.354 -2.187 1.00 11.32 H new ATOM 0 HG22 ILE A 11 2.263 4.145 -0.946 1.00 11.32 H new ATOM 0 HG23 ILE A 11 0.573 4.420 -0.461 1.00 11.32 H new ATOM 0 HD11 ILE A 11 -0.838 7.404 -3.409 1.00 65.33 H new ATOM 0 HD12 ILE A 11 0.913 7.272 -3.695 1.00 65.33 H new ATOM 0 HD13 ILE A 11 -0.060 5.804 -3.439 1.00 65.33 H new ATOM 142 N ARG A 12 3.126 4.814 1.484 1.00 53.11 N ATOM 143 CA ARG A 12 4.239 4.118 2.131 1.00 1.43 C ATOM 144 C ARG A 12 4.011 2.611 2.137 1.00 32.12 C ATOM 145 O ARG A 12 3.076 2.133 2.778 1.00 34.00 O ATOM 146 CB ARG A 12 4.449 4.702 3.541 1.00 53.11 C ATOM 147 CG ARG A 12 5.908 4.622 4.016 1.00 11.11 C ATOM 148 CD ARG A 12 6.119 3.766 5.263 1.00 14.43 C ATOM 149 NE ARG A 12 6.110 4.590 6.479 1.00 3.11 N ATOM 150 CZ ARG A 12 6.793 4.311 7.592 1.00 24.11 C ATOM 151 NH1 ARG A 12 7.269 3.090 7.825 1.00 14.31 N ATOM 152 NH2 ARG A 12 6.996 5.246 8.506 1.00 63.24 N ATOM 0 H ARG A 12 2.211 4.414 1.692 1.00 53.11 H new ATOM 0 HA ARG A 12 5.157 4.277 1.565 1.00 1.43 H new ATOM 0 HB2 ARG A 12 4.128 5.744 3.548 1.00 53.11 H new ATOM 0 HB3 ARG A 12 3.814 4.168 4.247 1.00 53.11 H new ATOM 0 HG2 ARG A 12 6.519 4.221 3.207 1.00 11.11 H new ATOM 0 HG3 ARG A 12 6.268 5.631 4.218 1.00 11.11 H new ATOM 0 HD2 ARG A 12 5.335 3.011 5.326 1.00 14.43 H new ATOM 0 HD3 ARG A 12 7.068 3.235 5.187 1.00 14.43 H new ATOM 0 HE ARG A 12 5.541 5.436 6.473 1.00 3.11 H new ATOM 0 HH11 ARG A 12 7.115 2.344 7.146 1.00 14.31 H new ATOM 0 HH12 ARG A 12 7.788 2.900 8.682 1.00 14.31 H new ATOM 0 HH21 ARG A 12 6.630 6.187 8.363 1.00 63.24 H new ATOM 0 HH22 ARG A 12 7.519 5.026 9.354 1.00 63.24 H new ATOM 163 N LEU A 13 4.814 1.862 1.387 1.00 62.02 N ATOM 164 CA LEU A 13 4.649 0.418 1.190 1.00 4.31 C ATOM 165 C LEU A 13 5.625 -0.317 2.095 1.00 64.21 C ATOM 166 O LEU A 13 6.826 -0.182 1.869 1.00 1.15 O ATOM 167 CB LEU A 13 4.935 0.061 -0.289 1.00 23.23 C ATOM 168 CG LEU A 13 3.753 0.178 -1.271 1.00 10.41 C ATOM 169 CD1 LEU A 13 2.901 -1.088 -1.266 1.00 53.43 C ATOM 170 CD2 LEU A 13 2.854 1.389 -1.007 1.00 32.11 C ATOM 0 H LEU A 13 5.616 2.246 0.887 1.00 62.02 H new ATOM 0 HA LEU A 13 3.628 0.124 1.435 1.00 4.31 H new ATOM 0 HB2 LEU A 13 5.738 0.706 -0.645 1.00 23.23 H new ATOM 0 HB3 LEU A 13 5.308 -0.963 -0.326 1.00 23.23 H new ATOM 0 HG LEU A 13 4.209 0.316 -2.251 1.00 10.41 H new ATOM 0 HD11 LEU A 13 2.076 -0.974 -1.969 1.00 53.43 H new ATOM 0 HD12 LEU A 13 3.514 -1.940 -1.561 1.00 53.43 H new ATOM 0 HD13 LEU A 13 2.504 -1.256 -0.265 1.00 53.43 H new ATOM 0 HD21 LEU A 13 2.044 1.407 -1.736 1.00 32.11 H new ATOM 0 HD22 LEU A 13 2.436 1.320 -0.002 1.00 32.11 H new ATOM 0 HD23 LEU A 13 3.441 2.304 -1.094 1.00 32.11 H new ATOM 181 N ILE A 14 5.169 -1.015 3.139 1.00 22.43 N ATOM 182 CA ILE A 14 6.013 -1.844 3.999 1.00 3.55 C ATOM 183 C ILE A 14 5.713 -3.317 3.688 1.00 33.41 C ATOM 184 O ILE A 14 4.574 -3.669 3.364 1.00 22.22 O ATOM 185 CB ILE A 14 5.776 -1.541 5.498 1.00 70.31 C ATOM 186 CG1 ILE A 14 5.742 -0.047 5.885 1.00 63.41 C ATOM 187 CG2 ILE A 14 6.898 -2.173 6.329 1.00 51.22 C ATOM 188 CD1 ILE A 14 4.352 0.573 5.761 1.00 32.03 C ATOM 0 H ILE A 14 4.187 -1.019 3.413 1.00 22.43 H new ATOM 0 HA ILE A 14 7.061 -1.621 3.797 1.00 3.55 H new ATOM 0 HB ILE A 14 4.787 -1.953 5.699 1.00 70.31 H new ATOM 0 HG12 ILE A 14 6.093 0.064 6.911 1.00 63.41 H new ATOM 0 HG13 ILE A 14 6.436 0.503 5.249 1.00 63.41 H new ATOM 0 HG21 ILE A 14 6.732 -1.960 7.385 1.00 51.22 H new ATOM 0 HG22 ILE A 14 6.903 -3.252 6.172 1.00 51.22 H new ATOM 0 HG23 ILE A 14 7.857 -1.757 6.021 1.00 51.22 H new ATOM 0 HD11 ILE A 14 4.395 1.624 6.047 1.00 32.03 H new ATOM 0 HD12 ILE A 14 4.008 0.492 4.730 1.00 32.03 H new ATOM 0 HD13 ILE A 14 3.659 0.047 6.417 1.00 32.03 H new ATOM 199 N ASN A 15 6.716 -4.189 3.799 1.00 34.23 N ATOM 200 CA ASN A 15 6.629 -5.600 3.439 1.00 53.43 C ATOM 201 C ASN A 15 6.790 -6.511 4.663 1.00 52.14 C ATOM 202 O ASN A 15 7.808 -7.186 4.793 1.00 32.44 O ATOM 203 CB ASN A 15 7.707 -5.885 2.380 1.00 61.22 C ATOM 204 CG ASN A 15 7.386 -7.166 1.627 1.00 70.32 C ATOM 205 OD1 ASN A 15 6.230 -7.488 1.360 1.00 5.42 O ATOM 206 ND2 ASN A 15 8.405 -7.904 1.244 1.00 72.21 N ATOM 0 H ASN A 15 7.635 -3.923 4.152 1.00 34.23 H new ATOM 0 HA ASN A 15 5.641 -5.815 3.033 1.00 53.43 H new ATOM 0 HB2 ASN A 15 7.769 -5.051 1.681 1.00 61.22 H new ATOM 0 HB3 ASN A 15 8.682 -5.972 2.859 1.00 61.22 H new ATOM 0 HD21 ASN A 15 8.244 -8.761 0.715 1.00 72.21 H new ATOM 0 HD22 ASN A 15 9.357 -7.619 1.476 1.00 72.21 H new ATOM 212 N GLN A 16 5.849 -6.494 5.610 1.00 41.51 N ATOM 213 CA GLN A 16 6.036 -7.027 6.965 1.00 61.50 C ATOM 214 C GLN A 16 5.772 -8.543 6.996 1.00 52.31 C ATOM 215 O GLN A 16 4.955 -9.036 7.770 1.00 51.00 O ATOM 216 CB GLN A 16 5.211 -6.206 7.991 1.00 34.23 C ATOM 217 CG GLN A 16 5.487 -4.707 7.784 1.00 14.41 C ATOM 218 CD GLN A 16 4.978 -3.758 8.859 1.00 10.45 C ATOM 219 OE1 GLN A 16 3.942 -3.127 8.720 1.00 51.34 O ATOM 220 NE2 GLN A 16 5.778 -3.490 9.875 1.00 25.23 N ATOM 0 H GLN A 16 4.919 -6.103 5.456 1.00 41.51 H new ATOM 0 HA GLN A 16 7.077 -6.911 7.268 1.00 61.50 H new ATOM 0 HB2 GLN A 16 4.148 -6.412 7.868 1.00 34.23 H new ATOM 0 HB3 GLN A 16 5.477 -6.499 9.007 1.00 34.23 H new ATOM 0 HG2 GLN A 16 6.565 -4.570 7.693 1.00 14.41 H new ATOM 0 HG3 GLN A 16 5.046 -4.409 6.832 1.00 14.41 H new ATOM 0 HE21 GLN A 16 6.644 -4.015 9.994 1.00 25.23 H new ATOM 0 HE22 GLN A 16 5.530 -2.758 10.540 1.00 25.23 H new ATOM 227 N THR A 17 6.461 -9.284 6.130 1.00 12.35 N ATOM 228 CA THR A 17 6.133 -10.637 5.706 1.00 45.34 C ATOM 229 C THR A 17 7.370 -11.551 5.709 1.00 73.33 C ATOM 230 O THR A 17 8.418 -11.250 6.297 1.00 73.51 O ATOM 231 CB THR A 17 5.411 -10.550 4.337 1.00 11.42 C ATOM 232 OG1 THR A 17 6.003 -9.591 3.473 1.00 33.11 O ATOM 233 CG2 THR A 17 3.942 -10.192 4.520 1.00 13.21 C ATOM 0 H THR A 17 7.309 -8.934 5.683 1.00 12.35 H new ATOM 0 HA THR A 17 5.454 -11.109 6.416 1.00 45.34 H new ATOM 0 HB THR A 17 5.505 -11.536 3.881 1.00 11.42 H new ATOM 0 HG1 THR A 17 5.782 -9.808 2.543 1.00 33.11 H new ATOM 0 HG21 THR A 17 3.457 -10.137 3.545 1.00 13.21 H new ATOM 0 HG22 THR A 17 3.454 -10.956 5.126 1.00 13.21 H new ATOM 0 HG23 THR A 17 3.862 -9.227 5.020 1.00 13.21 H new ATOM 241 N TYR A 18 7.236 -12.707 5.056 1.00 74.43 N ATOM 242 CA TYR A 18 8.285 -13.709 4.895 1.00 14.15 C ATOM 243 C TYR A 18 8.767 -13.869 3.438 1.00 63.42 C ATOM 244 O TYR A 18 9.376 -14.886 3.107 1.00 33.11 O ATOM 245 CB TYR A 18 7.878 -15.005 5.632 1.00 32.24 C ATOM 246 CG TYR A 18 7.148 -16.115 4.886 1.00 71.30 C ATOM 247 CD1 TYR A 18 6.386 -15.880 3.727 1.00 13.23 C ATOM 248 CD2 TYR A 18 7.224 -17.422 5.397 1.00 11.13 C ATOM 249 CE1 TYR A 18 5.745 -16.938 3.057 1.00 51.03 C ATOM 250 CE2 TYR A 18 6.590 -18.487 4.740 1.00 30.45 C ATOM 251 CZ TYR A 18 5.850 -18.253 3.561 1.00 11.24 C ATOM 252 OH TYR A 18 5.229 -19.297 2.951 1.00 44.41 O ATOM 0 H TYR A 18 6.360 -12.979 4.609 1.00 74.43 H new ATOM 0 HA TYR A 18 9.196 -13.361 5.381 1.00 14.15 H new ATOM 0 HB2 TYR A 18 8.787 -15.439 6.048 1.00 32.24 H new ATOM 0 HB3 TYR A 18 7.250 -14.714 6.474 1.00 32.24 H new ATOM 0 HD1 TYR A 18 6.292 -14.874 3.346 1.00 13.23 H new ATOM 0 HD2 TYR A 18 7.777 -17.609 6.306 1.00 11.13 H new ATOM 0 HE1 TYR A 18 5.175 -16.745 2.160 1.00 51.03 H new ATOM 0 HE2 TYR A 18 6.668 -19.488 5.137 1.00 30.45 H new ATOM 0 HH TYR A 18 5.419 -20.123 3.443 1.00 44.41 H new ATOM 261 N PHE A 19 8.493 -12.907 2.547 1.00 34.52 N ATOM 262 CA PHE A 19 8.822 -12.975 1.111 1.00 30.13 C ATOM 263 C PHE A 19 9.279 -11.617 0.568 1.00 23.32 C ATOM 264 O PHE A 19 9.146 -10.594 1.231 1.00 61.33 O ATOM 265 CB PHE A 19 7.610 -13.504 0.324 1.00 74.04 C ATOM 266 CG PHE A 19 6.315 -12.758 0.568 1.00 25.45 C ATOM 267 CD1 PHE A 19 6.159 -11.420 0.162 1.00 65.33 C ATOM 268 CD2 PHE A 19 5.277 -13.392 1.270 1.00 63.32 C ATOM 269 CE1 PHE A 19 4.994 -10.715 0.494 1.00 24.15 C ATOM 270 CE2 PHE A 19 4.143 -12.670 1.660 1.00 4.51 C ATOM 271 CZ PHE A 19 3.998 -11.334 1.263 1.00 51.43 C ATOM 0 H PHE A 19 8.026 -12.039 2.807 1.00 34.52 H new ATOM 0 HA PHE A 19 9.657 -13.665 0.985 1.00 30.13 H new ATOM 0 HB2 PHE A 19 7.841 -13.463 -0.741 1.00 74.04 H new ATOM 0 HB3 PHE A 19 7.461 -14.554 0.578 1.00 74.04 H new ATOM 0 HD1 PHE A 19 6.939 -10.935 -0.407 1.00 65.33 H new ATOM 0 HD2 PHE A 19 5.354 -14.442 1.510 1.00 63.32 H new ATOM 0 HE1 PHE A 19 4.864 -9.697 0.158 1.00 24.15 H new ATOM 0 HE2 PHE A 19 3.382 -13.141 2.265 1.00 4.51 H new ATOM 0 HZ PHE A 19 3.117 -10.780 1.550 1.00 51.43 H new ATOM 280 N ASN A 20 9.748 -11.576 -0.679 1.00 64.04 N ATOM 281 CA ASN A 20 10.033 -10.348 -1.429 1.00 25.42 C ATOM 282 C ASN A 20 8.843 -10.021 -2.349 1.00 5.34 C ATOM 283 O ASN A 20 8.119 -10.938 -2.738 1.00 54.43 O ATOM 284 CB ASN A 20 11.330 -10.573 -2.220 1.00 11.42 C ATOM 285 CG ASN A 20 11.648 -9.425 -3.161 1.00 31.42 C ATOM 286 OD1 ASN A 20 12.043 -8.361 -2.727 1.00 41.12 O ATOM 287 ND2 ASN A 20 11.501 -9.606 -4.462 1.00 4.52 N ATOM 0 H ASN A 20 9.947 -12.422 -1.214 1.00 64.04 H new ATOM 0 HA ASN A 20 10.169 -9.495 -0.764 1.00 25.42 H new ATOM 0 HB2 ASN A 20 12.157 -10.706 -1.523 1.00 11.42 H new ATOM 0 HB3 ASN A 20 11.245 -11.496 -2.794 1.00 11.42 H new ATOM 0 HD21 ASN A 20 11.720 -8.849 -5.110 1.00 4.52 H new ATOM 0 HD22 ASN A 20 11.169 -10.502 -4.818 1.00 4.52 H new ATOM 293 N VAL A 21 8.636 -8.760 -2.730 1.00 1.41 N ATOM 294 CA VAL A 21 7.647 -8.314 -3.726 1.00 1.44 C ATOM 295 C VAL A 21 8.366 -7.335 -4.666 1.00 25.11 C ATOM 296 O VAL A 21 9.173 -6.532 -4.214 1.00 31.44 O ATOM 297 CB VAL A 21 6.404 -7.689 -3.070 1.00 71.01 C ATOM 298 CG1 VAL A 21 5.471 -8.745 -2.477 1.00 53.21 C ATOM 299 CG2 VAL A 21 6.750 -6.679 -1.971 1.00 72.02 C ATOM 0 H VAL A 21 9.173 -7.985 -2.340 1.00 1.41 H new ATOM 0 HA VAL A 21 7.266 -9.165 -4.290 1.00 1.44 H new ATOM 0 HB VAL A 21 5.898 -7.166 -3.881 1.00 71.01 H new ATOM 0 HG11 VAL A 21 4.608 -8.256 -2.025 1.00 53.21 H new ATOM 0 HG12 VAL A 21 5.135 -9.418 -3.266 1.00 53.21 H new ATOM 0 HG13 VAL A 21 6.004 -9.316 -1.716 1.00 53.21 H new ATOM 0 HG21 VAL A 21 5.831 -6.273 -1.547 1.00 72.02 H new ATOM 0 HG22 VAL A 21 7.323 -7.176 -1.188 1.00 72.02 H new ATOM 0 HG23 VAL A 21 7.343 -5.868 -2.395 1.00 72.02 H new ATOM 309 N LYS A 22 8.132 -7.407 -5.979 1.00 22.11 N ATOM 310 CA LYS A 22 9.000 -6.788 -7.003 1.00 44.10 C ATOM 311 C LYS A 22 8.221 -6.194 -8.173 1.00 71.14 C ATOM 312 O LYS A 22 8.729 -6.059 -9.288 1.00 24.13 O ATOM 313 CB LYS A 22 10.025 -7.838 -7.466 1.00 53.43 C ATOM 314 CG LYS A 22 9.365 -9.050 -8.142 1.00 25.03 C ATOM 315 CD LYS A 22 9.096 -10.273 -7.251 1.00 51.21 C ATOM 316 CE LYS A 22 7.943 -11.117 -7.812 1.00 54.14 C ATOM 317 NZ LYS A 22 8.114 -11.481 -9.239 1.00 3.21 N ATOM 0 H LYS A 22 7.330 -7.899 -6.372 1.00 22.11 H new ATOM 0 HA LYS A 22 9.515 -5.938 -6.555 1.00 44.10 H new ATOM 0 HB2 LYS A 22 10.725 -7.375 -8.162 1.00 53.43 H new ATOM 0 HB3 LYS A 22 10.606 -8.177 -6.608 1.00 53.43 H new ATOM 0 HG2 LYS A 22 8.417 -8.726 -8.571 1.00 25.03 H new ATOM 0 HG3 LYS A 22 9.999 -9.365 -8.971 1.00 25.03 H new ATOM 0 HD2 LYS A 22 9.997 -10.882 -7.181 1.00 51.21 H new ATOM 0 HD3 LYS A 22 8.854 -9.945 -6.240 1.00 51.21 H new ATOM 0 HE2 LYS A 22 7.850 -12.029 -7.222 1.00 54.14 H new ATOM 0 HE3 LYS A 22 7.010 -10.566 -7.696 1.00 54.14 H new ATOM 0 HZ1 LYS A 22 7.787 -12.457 -9.390 1.00 3.21 H new ATOM 0 HZ2 LYS A 22 7.556 -10.833 -9.832 1.00 3.21 H new ATOM 0 HZ3 LYS A 22 9.119 -11.409 -9.498 1.00 3.21 H new ATOM 327 N ASN A 23 6.936 -5.957 -7.947 1.00 73.32 N ATOM 328 CA ASN A 23 5.962 -5.604 -8.972 1.00 14.22 C ATOM 329 C ASN A 23 4.677 -5.181 -8.270 1.00 53.43 C ATOM 330 O ASN A 23 3.593 -5.687 -8.573 1.00 72.21 O ATOM 331 CB ASN A 23 5.722 -6.784 -9.955 1.00 42.32 C ATOM 332 CG ASN A 23 5.599 -8.138 -9.263 1.00 1.42 C ATOM 333 OD1 ASN A 23 6.257 -9.117 -9.592 1.00 53.10 O ATOM 334 ND2 ASN A 23 4.834 -8.195 -8.193 1.00 53.50 N ATOM 0 H ASN A 23 6.529 -6.007 -7.013 1.00 73.32 H new ATOM 0 HA ASN A 23 6.337 -4.779 -9.578 1.00 14.22 H new ATOM 0 HB2 ASN A 23 4.813 -6.592 -10.525 1.00 42.32 H new ATOM 0 HB3 ASN A 23 6.544 -6.824 -10.670 1.00 42.32 H new ATOM 0 HD21 ASN A 23 4.791 -9.052 -7.642 1.00 53.50 H new ATOM 0 HD22 ASN A 23 4.284 -7.382 -7.915 1.00 53.50 H new ATOM 340 N ILE A 24 4.793 -4.379 -7.217 1.00 24.43 N ATOM 341 CA ILE A 24 3.631 -3.853 -6.534 1.00 22.45 C ATOM 342 C ILE A 24 3.170 -2.642 -7.333 1.00 53.41 C ATOM 343 O ILE A 24 3.981 -1.807 -7.742 1.00 53.52 O ATOM 344 CB ILE A 24 3.919 -3.454 -5.073 1.00 4.55 C ATOM 345 CG1 ILE A 24 4.955 -4.343 -4.357 1.00 41.24 C ATOM 346 CG2 ILE A 24 2.582 -3.494 -4.311 1.00 22.14 C ATOM 347 CD1 ILE A 24 5.326 -3.770 -2.991 1.00 71.44 C ATOM 0 H ILE A 24 5.685 -4.082 -6.822 1.00 24.43 H new ATOM 0 HA ILE A 24 2.863 -4.625 -6.479 1.00 22.45 H new ATOM 0 HB ILE A 24 4.362 -2.458 -5.087 1.00 4.55 H new ATOM 0 HG12 ILE A 24 4.552 -5.349 -4.235 1.00 41.24 H new ATOM 0 HG13 ILE A 24 5.850 -4.430 -4.973 1.00 41.24 H new ATOM 0 HG21 ILE A 24 2.748 -3.216 -3.270 1.00 22.14 H new ATOM 0 HG22 ILE A 24 1.883 -2.793 -4.766 1.00 22.14 H new ATOM 0 HG23 ILE A 24 2.167 -4.501 -4.356 1.00 22.14 H new ATOM 0 HD11 ILE A 24 6.058 -4.419 -2.511 1.00 71.44 H new ATOM 0 HD12 ILE A 24 5.751 -2.774 -3.117 1.00 71.44 H new ATOM 0 HD13 ILE A 24 4.434 -3.707 -2.368 1.00 71.44 H new ATOM 358 N LYS A 25 1.862 -2.547 -7.530 1.00 10.34 N ATOM 359 CA LYS A 25 1.210 -1.516 -8.302 1.00 53.13 C ATOM 360 C LYS A 25 0.072 -0.972 -7.462 1.00 1.43 C ATOM 361 O LYS A 25 -0.932 -1.656 -7.256 1.00 31.34 O ATOM 362 CB LYS A 25 0.719 -2.142 -9.603 1.00 21.11 C ATOM 363 CG LYS A 25 0.385 -1.116 -10.682 1.00 72.44 C ATOM 364 CD LYS A 25 -1.072 -1.041 -11.097 1.00 44.30 C ATOM 365 CE LYS A 25 -1.960 -0.228 -10.143 1.00 70.24 C ATOM 366 NZ LYS A 25 -2.821 -1.024 -9.245 1.00 14.22 N ATOM 0 H LYS A 25 1.204 -3.219 -7.136 1.00 10.34 H new ATOM 0 HA LYS A 25 1.878 -0.693 -8.556 1.00 53.13 H new ATOM 0 HB2 LYS A 25 1.483 -2.821 -9.982 1.00 21.11 H new ATOM 0 HB3 LYS A 25 -0.167 -2.743 -9.397 1.00 21.11 H new ATOM 0 HG2 LYS A 25 0.693 -0.132 -10.328 1.00 72.44 H new ATOM 0 HG3 LYS A 25 0.983 -1.339 -11.565 1.00 72.44 H new ATOM 0 HD2 LYS A 25 -1.132 -0.602 -12.093 1.00 44.30 H new ATOM 0 HD3 LYS A 25 -1.469 -2.053 -11.170 1.00 44.30 H new ATOM 0 HE2 LYS A 25 -1.320 0.410 -9.533 1.00 70.24 H new ATOM 0 HE3 LYS A 25 -2.594 0.431 -10.737 1.00 70.24 H new ATOM 0 HZ1 LYS A 25 -3.572 -0.418 -8.857 1.00 14.22 H new ATOM 0 HZ2 LYS A 25 -3.249 -1.807 -9.779 1.00 14.22 H new ATOM 0 HZ3 LYS A 25 -2.249 -1.408 -8.466 1.00 14.22 H new ATOM 376 N VAL A 26 0.211 0.253 -6.995 1.00 13.45 N ATOM 377 CA VAL A 26 -0.800 0.912 -6.179 1.00 64.01 C ATOM 378 C VAL A 26 -1.650 1.800 -7.084 1.00 70.23 C ATOM 379 O VAL A 26 -1.109 2.423 -7.996 1.00 50.50 O ATOM 380 CB VAL A 26 -0.126 1.682 -5.026 1.00 70.02 C ATOM 381 CG1 VAL A 26 0.942 2.689 -5.444 1.00 61.32 C ATOM 382 CG2 VAL A 26 -1.130 2.454 -4.170 1.00 74.03 C ATOM 0 H VAL A 26 1.035 0.828 -7.171 1.00 13.45 H new ATOM 0 HA VAL A 26 -1.464 0.185 -5.711 1.00 64.01 H new ATOM 0 HB VAL A 26 0.351 0.877 -4.467 1.00 70.02 H new ATOM 0 HG11 VAL A 26 1.351 3.174 -4.558 1.00 61.32 H new ATOM 0 HG12 VAL A 26 1.741 2.172 -5.976 1.00 61.32 H new ATOM 0 HG13 VAL A 26 0.498 3.441 -6.097 1.00 61.32 H new ATOM 0 HG21 VAL A 26 -0.602 2.978 -3.373 1.00 74.03 H new ATOM 0 HG22 VAL A 26 -1.658 3.177 -4.792 1.00 74.03 H new ATOM 0 HG23 VAL A 26 -1.847 1.758 -3.734 1.00 74.03 H new ATOM 392 N THR A 27 -2.948 1.896 -6.804 1.00 3.11 N ATOM 393 CA THR A 27 -3.855 2.924 -7.311 1.00 21.43 C ATOM 394 C THR A 27 -4.380 3.674 -6.076 1.00 11.20 C ATOM 395 O THR A 27 -4.511 3.059 -5.015 1.00 13.40 O ATOM 396 CB THR A 27 -4.982 2.265 -8.138 1.00 71.23 C ATOM 397 OG1 THR A 27 -4.489 1.222 -8.967 1.00 4.41 O ATOM 398 CG2 THR A 27 -5.720 3.273 -9.019 1.00 65.03 C ATOM 0 H THR A 27 -3.417 1.230 -6.190 1.00 3.11 H new ATOM 0 HA THR A 27 -3.363 3.626 -7.984 1.00 21.43 H new ATOM 0 HB THR A 27 -5.677 1.853 -7.406 1.00 71.23 H new ATOM 0 HG1 THR A 27 -4.715 1.412 -9.901 1.00 4.41 H new ATOM 0 HG21 THR A 27 -6.502 2.762 -9.580 1.00 65.03 H new ATOM 0 HG22 THR A 27 -6.168 4.044 -8.393 1.00 65.03 H new ATOM 0 HG23 THR A 27 -5.017 3.733 -9.713 1.00 65.03 H new ATOM 406 N TRP A 28 -4.654 4.980 -6.161 1.00 71.32 N ATOM 407 CA TRP A 28 -5.045 5.809 -5.005 1.00 11.50 C ATOM 408 C TRP A 28 -6.096 6.870 -5.343 1.00 10.44 C ATOM 409 O TRP A 28 -6.302 7.841 -4.624 1.00 22.40 O ATOM 410 CB TRP A 28 -3.798 6.455 -4.402 1.00 71.03 C ATOM 411 CG TRP A 28 -3.010 7.390 -5.270 1.00 44.13 C ATOM 412 CD1 TRP A 28 -3.154 8.731 -5.362 1.00 52.25 C ATOM 413 CD2 TRP A 28 -1.852 7.080 -6.083 1.00 44.23 C ATOM 414 NE1 TRP A 28 -2.088 9.266 -6.058 1.00 34.44 N ATOM 415 CE2 TRP A 28 -1.199 8.292 -6.433 1.00 13.42 C ATOM 416 CE3 TRP A 28 -1.255 5.884 -6.501 1.00 63.14 C ATOM 417 CZ2 TRP A 28 0.068 8.316 -7.026 1.00 2.11 C ATOM 418 CZ3 TRP A 28 -0.049 5.903 -7.211 1.00 62.21 C ATOM 419 CH2 TRP A 28 0.642 7.107 -7.432 1.00 70.14 C ATOM 0 H TRP A 28 -4.612 5.500 -7.038 1.00 71.32 H new ATOM 0 HA TRP A 28 -5.516 5.148 -4.277 1.00 11.50 H new ATOM 0 HB2 TRP A 28 -4.102 7.001 -3.509 1.00 71.03 H new ATOM 0 HB3 TRP A 28 -3.131 5.657 -4.076 1.00 71.03 H new ATOM 0 HD1 TRP A 28 -3.978 9.298 -4.953 1.00 52.25 H new ATOM 0 HE1 TRP A 28 -1.976 10.258 -6.266 1.00 34.44 H new ATOM 0 HE3 TRP A 28 -1.729 4.940 -6.274 1.00 63.14 H new ATOM 0 HZ2 TRP A 28 0.592 9.250 -7.167 1.00 2.11 H new ATOM 0 HZ3 TRP A 28 0.357 4.979 -7.595 1.00 62.21 H new ATOM 0 HH2 TRP A 28 1.609 7.098 -7.912 1.00 70.14 H new ATOM 429 N ASN A 29 -6.743 6.726 -6.482 1.00 45.34 N ATOM 430 CA ASN A 29 -7.738 7.622 -7.063 1.00 25.33 C ATOM 431 C ASN A 29 -8.468 6.778 -8.114 1.00 65.43 C ATOM 432 O ASN A 29 -8.317 5.551 -8.132 1.00 63.33 O ATOM 433 CB ASN A 29 -7.037 8.880 -7.634 1.00 25.33 C ATOM 434 CG ASN A 29 -7.397 10.178 -6.907 1.00 63.21 C ATOM 435 OD1 ASN A 29 -7.735 11.165 -7.543 1.00 74.44 O ATOM 436 ND2 ASN A 29 -7.291 10.240 -5.590 1.00 12.24 N ATOM 0 H ASN A 29 -6.577 5.915 -7.078 1.00 45.34 H new ATOM 0 HA ASN A 29 -8.460 8.009 -6.343 1.00 25.33 H new ATOM 0 HB2 ASN A 29 -5.958 8.736 -7.585 1.00 25.33 H new ATOM 0 HB3 ASN A 29 -7.297 8.982 -8.688 1.00 25.33 H new ATOM 0 HD21 ASN A 29 -7.492 11.113 -5.103 1.00 12.24 H new ATOM 0 HD22 ASN A 29 -7.009 9.414 -5.062 1.00 12.24 H new ATOM 442 N ASP A 30 -9.256 7.381 -9.001 1.00 25.13 N ATOM 443 CA ASP A 30 -10.052 6.647 -9.994 1.00 53.31 C ATOM 444 C ASP A 30 -9.279 6.492 -11.311 1.00 63.21 C ATOM 445 O ASP A 30 -9.865 6.275 -12.370 1.00 63.22 O ATOM 446 CB ASP A 30 -11.439 7.285 -10.150 1.00 21.20 C ATOM 447 CG ASP A 30 -12.305 6.992 -8.926 1.00 11.10 C ATOM 448 OD1 ASP A 30 -11.950 7.380 -7.792 1.00 42.32 O ATOM 449 OD2 ASP A 30 -13.328 6.277 -9.049 1.00 30.03 O ATOM 0 H ASP A 30 -9.364 8.394 -9.055 1.00 25.13 H new ATOM 0 HA ASP A 30 -10.229 5.631 -9.640 1.00 53.31 H new ATOM 0 HB2 ASP A 30 -11.337 8.362 -10.281 1.00 21.20 H new ATOM 0 HB3 ASP A 30 -11.924 6.899 -11.047 1.00 21.20 H new ATOM 453 N GLY A 31 -7.948 6.566 -11.237 1.00 62.14 N ATOM 454 CA GLY A 31 -7.037 6.319 -12.346 1.00 32.01 C ATOM 455 C GLY A 31 -5.572 6.539 -11.963 1.00 43.21 C ATOM 456 O GLY A 31 -4.683 5.981 -12.598 1.00 14.53 O ATOM 0 H GLY A 31 -7.463 6.808 -10.373 1.00 62.14 H new ATOM 0 HA2 GLY A 31 -7.167 5.295 -12.697 1.00 32.01 H new ATOM 0 HA3 GLY A 31 -7.294 6.976 -13.176 1.00 32.01 H new ATOM 460 N LYS A 32 -5.283 7.322 -10.914 1.00 71.41 N ATOM 461 CA LYS A 32 -3.908 7.580 -10.495 1.00 11.44 C ATOM 462 C LYS A 32 -3.303 6.291 -9.936 1.00 53.43 C ATOM 463 O LYS A 32 -3.697 5.867 -8.847 1.00 4.10 O ATOM 464 CB LYS A 32 -3.846 8.733 -9.469 1.00 10.14 C ATOM 465 CG LYS A 32 -2.690 9.718 -9.710 1.00 74.44 C ATOM 466 CD LYS A 32 -1.291 9.086 -9.728 1.00 73.21 C ATOM 467 CE LYS A 32 -0.716 9.026 -11.140 1.00 62.01 C ATOM 468 NZ LYS A 32 0.604 8.363 -11.204 1.00 74.21 N ATOM 0 H LYS A 32 -5.989 7.786 -10.342 1.00 71.41 H new ATOM 0 HA LYS A 32 -3.321 7.897 -11.357 1.00 11.44 H new ATOM 0 HB2 LYS A 32 -4.788 9.280 -9.494 1.00 10.14 H new ATOM 0 HB3 LYS A 32 -3.749 8.312 -8.468 1.00 10.14 H new ATOM 0 HG2 LYS A 32 -2.856 10.224 -10.661 1.00 74.44 H new ATOM 0 HG3 LYS A 32 -2.717 10.483 -8.934 1.00 74.44 H new ATOM 0 HD2 LYS A 32 -0.623 9.662 -9.088 1.00 73.21 H new ATOM 0 HD3 LYS A 32 -1.341 8.080 -9.313 1.00 73.21 H new ATOM 0 HE2 LYS A 32 -1.414 8.495 -11.787 1.00 62.01 H new ATOM 0 HE3 LYS A 32 -0.626 10.039 -11.532 1.00 62.01 H new ATOM 0 HZ1 LYS A 32 1.189 8.823 -11.931 1.00 74.21 H new ATOM 0 HZ2 LYS A 32 1.076 8.439 -10.280 1.00 74.21 H new ATOM 0 HZ3 LYS A 32 0.477 7.360 -11.446 1.00 74.21 H new ATOM 478 N GLU A 33 -2.344 5.701 -10.651 1.00 30.21 N ATOM 479 CA GLU A 33 -1.558 4.564 -10.180 1.00 53.32 C ATOM 480 C GLU A 33 -0.076 4.726 -10.500 1.00 44.23 C ATOM 481 O GLU A 33 0.296 5.602 -11.285 1.00 12.54 O ATOM 482 CB GLU A 33 -2.126 3.233 -10.694 1.00 34.41 C ATOM 483 CG GLU A 33 -2.492 3.101 -12.177 1.00 14.13 C ATOM 484 CD GLU A 33 -3.402 1.894 -12.429 1.00 44.33 C ATOM 485 OE1 GLU A 33 -4.302 1.622 -11.603 1.00 3.51 O ATOM 486 OE2 GLU A 33 -3.251 1.213 -13.469 1.00 41.14 O ATOM 0 H GLU A 33 -2.089 6.007 -11.590 1.00 30.21 H new ATOM 0 HA GLU A 33 -1.638 4.541 -9.093 1.00 53.32 H new ATOM 0 HB2 GLU A 33 -1.398 2.455 -10.465 1.00 34.41 H new ATOM 0 HB3 GLU A 33 -3.022 3.012 -10.114 1.00 34.41 H new ATOM 0 HG2 GLU A 33 -2.992 4.010 -12.511 1.00 14.13 H new ATOM 0 HG3 GLU A 33 -1.582 3.001 -12.769 1.00 14.13 H new ATOM 491 N GLN A 34 0.767 3.912 -9.863 1.00 12.11 N ATOM 492 CA GLN A 34 2.211 3.828 -10.095 1.00 32.25 C ATOM 493 C GLN A 34 2.719 2.444 -9.672 1.00 63.00 C ATOM 494 O GLN A 34 1.965 1.664 -9.077 1.00 52.53 O ATOM 495 CB GLN A 34 2.966 4.978 -9.388 1.00 52.30 C ATOM 496 CG GLN A 34 3.185 4.828 -7.863 1.00 32.41 C ATOM 497 CD GLN A 34 4.311 3.882 -7.488 1.00 25.24 C ATOM 498 OE1 GLN A 34 4.118 2.879 -6.818 1.00 11.32 O ATOM 499 NE2 GLN A 34 5.492 4.113 -8.017 1.00 42.11 N ATOM 0 H GLN A 34 0.449 3.266 -9.141 1.00 12.11 H new ATOM 0 HA GLN A 34 2.410 3.949 -11.160 1.00 32.25 H new ATOM 0 HB2 GLN A 34 3.941 5.088 -9.863 1.00 52.30 H new ATOM 0 HB3 GLN A 34 2.419 5.904 -9.564 1.00 52.30 H new ATOM 0 HG2 GLN A 34 3.394 5.810 -7.439 1.00 32.41 H new ATOM 0 HG3 GLN A 34 2.260 4.474 -7.407 1.00 32.41 H new ATOM 0 HE21 GLN A 34 5.645 4.953 -8.575 1.00 42.11 H new ATOM 0 HE22 GLN A 34 6.255 3.452 -7.869 1.00 42.11 H new ATOM 506 N THR A 35 3.995 2.151 -9.948 1.00 30.22 N ATOM 507 CA THR A 35 4.620 0.875 -9.631 1.00 10.54 C ATOM 508 C THR A 35 5.953 1.101 -8.909 1.00 63.11 C ATOM 509 O THR A 35 6.723 2.007 -9.268 1.00 43.14 O ATOM 510 CB THR A 35 4.774 0.053 -10.917 1.00 13.31 C ATOM 511 OG1 THR A 35 5.768 0.588 -11.770 1.00 43.53 O ATOM 512 CG2 THR A 35 3.520 0.024 -11.744 1.00 2.33 C ATOM 0 H THR A 35 4.627 2.808 -10.405 1.00 30.22 H new ATOM 0 HA THR A 35 3.989 0.306 -8.948 1.00 10.54 H new ATOM 0 HB THR A 35 5.034 -0.946 -10.565 1.00 13.31 H new ATOM 0 HG1 THR A 35 5.838 0.037 -12.577 1.00 43.53 H new ATOM 0 HG21 THR A 35 3.689 -0.572 -12.641 1.00 2.33 H new ATOM 0 HG22 THR A 35 2.711 -0.417 -11.162 1.00 2.33 H new ATOM 0 HG23 THR A 35 3.249 1.040 -12.030 1.00 2.33 H new ATOM 520 N VAL A 36 6.225 0.321 -7.865 1.00 42.13 N ATOM 521 CA VAL A 36 7.441 0.461 -7.066 1.00 42.51 C ATOM 522 C VAL A 36 8.509 -0.477 -7.648 1.00 22.43 C ATOM 523 O VAL A 36 8.164 -1.377 -8.415 1.00 3.14 O ATOM 524 CB VAL A 36 7.129 0.165 -5.583 1.00 21.44 C ATOM 525 CG1 VAL A 36 8.226 0.770 -4.702 1.00 64.40 C ATOM 526 CG2 VAL A 36 5.800 0.759 -5.083 1.00 50.41 C ATOM 0 H VAL A 36 5.608 -0.427 -7.549 1.00 42.13 H new ATOM 0 HA VAL A 36 7.825 1.480 -7.106 1.00 42.51 H new ATOM 0 HB VAL A 36 7.068 -0.921 -5.516 1.00 21.44 H new ATOM 0 HG11 VAL A 36 8.007 0.562 -3.655 1.00 64.40 H new ATOM 0 HG12 VAL A 36 9.188 0.331 -4.966 1.00 64.40 H new ATOM 0 HG13 VAL A 36 8.264 1.848 -4.858 1.00 64.40 H new ATOM 0 HG21 VAL A 36 5.660 0.504 -4.033 1.00 50.41 H new ATOM 0 HG22 VAL A 36 5.822 1.843 -5.193 1.00 50.41 H new ATOM 0 HG23 VAL A 36 4.976 0.351 -5.669 1.00 50.41 H new ATOM 536 N ASN A 37 9.789 -0.303 -7.317 1.00 24.12 N ATOM 537 CA ASN A 37 10.863 -1.229 -7.687 1.00 50.52 C ATOM 538 C ASN A 37 10.645 -2.592 -7.017 1.00 2.53 C ATOM 539 O ASN A 37 10.021 -3.481 -7.595 1.00 23.15 O ATOM 540 CB ASN A 37 12.227 -0.598 -7.336 1.00 11.44 C ATOM 541 CG ASN A 37 13.391 -1.589 -7.246 1.00 70.10 C ATOM 542 OD1 ASN A 37 13.369 -2.683 -7.803 1.00 64.12 O ATOM 543 ND2 ASN A 37 14.398 -1.252 -6.466 1.00 52.31 N ATOM 0 H ASN A 37 10.115 0.498 -6.776 1.00 24.12 H new ATOM 0 HA ASN A 37 10.853 -1.408 -8.762 1.00 50.52 H new ATOM 0 HB2 ASN A 37 12.467 0.155 -8.087 1.00 11.44 H new ATOM 0 HB3 ASN A 37 12.136 -0.079 -6.382 1.00 11.44 H new ATOM 0 HD21 ASN A 37 15.170 -1.903 -6.320 1.00 52.31 H new ATOM 0 HD22 ASN A 37 14.406 -0.340 -6.008 1.00 52.31 H new ATOM 549 N THR A 38 11.109 -2.767 -5.782 1.00 71.12 N ATOM 550 CA THR A 38 11.135 -4.042 -5.086 1.00 24.01 C ATOM 551 C THR A 38 11.120 -3.740 -3.587 1.00 13.34 C ATOM 552 O THR A 38 11.431 -2.616 -3.177 1.00 53.41 O ATOM 553 CB THR A 38 12.388 -4.847 -5.519 1.00 44.42 C ATOM 554 OG1 THR A 38 12.468 -5.078 -6.916 1.00 3.25 O ATOM 555 CG2 THR A 38 12.481 -6.227 -4.873 1.00 45.13 C ATOM 0 H THR A 38 11.487 -2.001 -5.225 1.00 71.12 H new ATOM 0 HA THR A 38 10.270 -4.658 -5.332 1.00 24.01 H new ATOM 0 HB THR A 38 13.201 -4.202 -5.186 1.00 44.42 H new ATOM 0 HG1 THR A 38 12.877 -4.302 -7.353 1.00 3.25 H new ATOM 0 HG21 THR A 38 13.382 -6.732 -5.222 1.00 45.13 H new ATOM 0 HG22 THR A 38 12.522 -6.119 -3.789 1.00 45.13 H new ATOM 0 HG23 THR A 38 11.606 -6.816 -5.146 1.00 45.13 H new ATOM 563 N LEU A 39 10.750 -4.728 -2.777 1.00 51.13 N ATOM 564 CA LEU A 39 10.701 -4.668 -1.334 1.00 25.21 C ATOM 565 C LEU A 39 11.063 -6.049 -0.801 1.00 21.01 C ATOM 566 O LEU A 39 10.279 -6.994 -0.929 1.00 63.23 O ATOM 567 CB LEU A 39 9.302 -4.213 -0.885 1.00 24.31 C ATOM 568 CG LEU A 39 9.317 -3.085 0.153 1.00 71.41 C ATOM 569 CD1 LEU A 39 10.135 -1.847 -0.262 1.00 2.12 C ATOM 570 CD2 LEU A 39 7.879 -2.651 0.431 1.00 11.51 C ATOM 0 H LEU A 39 10.462 -5.638 -3.137 1.00 51.13 H new ATOM 0 HA LEU A 39 11.411 -3.943 -0.937 1.00 25.21 H new ATOM 0 HB2 LEU A 39 8.741 -3.881 -1.759 1.00 24.31 H new ATOM 0 HB3 LEU A 39 8.769 -5.068 -0.470 1.00 24.31 H new ATOM 0 HG LEU A 39 9.804 -3.493 1.039 1.00 71.41 H new ATOM 0 HD11 LEU A 39 10.091 -1.100 0.530 1.00 2.12 H new ATOM 0 HD12 LEU A 39 11.172 -2.136 -0.431 1.00 2.12 H new ATOM 0 HD13 LEU A 39 9.721 -1.428 -1.179 1.00 2.12 H new ATOM 0 HD21 LEU A 39 7.877 -1.848 1.169 1.00 11.51 H new ATOM 0 HD22 LEU A 39 7.421 -2.296 -0.492 1.00 11.51 H new ATOM 0 HD23 LEU A 39 7.311 -3.498 0.815 1.00 11.51 H new ATOM 581 N GLY A 40 12.266 -6.141 -0.240 1.00 5.33 N ATOM 582 CA GLY A 40 12.791 -7.303 0.456 1.00 2.24 C ATOM 583 C GLY A 40 12.020 -7.594 1.743 1.00 21.52 C ATOM 584 O GLY A 40 10.971 -6.998 2.004 1.00 3.01 O ATOM 0 H GLY A 40 12.930 -5.367 -0.262 1.00 5.33 H new ATOM 0 HA2 GLY A 40 12.742 -8.172 -0.200 1.00 2.24 H new ATOM 0 HA3 GLY A 40 13.843 -7.140 0.692 1.00 2.24 H new ATOM 588 N SER A 41 12.512 -8.538 2.549 1.00 1.41 N ATOM 589 CA SER A 41 11.851 -8.878 3.801 1.00 53.31 C ATOM 590 C SER A 41 11.809 -7.667 4.726 1.00 2.12 C ATOM 591 O SER A 41 12.848 -7.053 4.963 1.00 12.04 O ATOM 592 CB SER A 41 12.501 -10.091 4.476 1.00 33.53 C ATOM 593 OG SER A 41 13.881 -9.878 4.723 1.00 44.22 O ATOM 0 H SER A 41 13.358 -9.073 2.355 1.00 1.41 H new ATOM 0 HA SER A 41 10.824 -9.164 3.575 1.00 53.31 H new ATOM 0 HB2 SER A 41 11.991 -10.300 5.416 1.00 33.53 H new ATOM 0 HB3 SER A 41 12.376 -10.970 3.843 1.00 33.53 H new ATOM 0 HG SER A 41 14.034 -8.932 4.929 1.00 44.22 H new ATOM 598 N HIS A 42 10.622 -7.339 5.244 1.00 65.53 N ATOM 599 CA HIS A 42 10.383 -6.202 6.132 1.00 45.22 C ATOM 600 C HIS A 42 10.814 -4.851 5.548 1.00 72.11 C ATOM 601 O HIS A 42 10.836 -3.860 6.279 1.00 64.12 O ATOM 602 CB HIS A 42 10.931 -6.506 7.538 1.00 23.41 C ATOM 603 CG HIS A 42 9.874 -7.096 8.433 1.00 74.53 C ATOM 604 ND1 HIS A 42 9.310 -6.474 9.525 1.00 1.02 N ATOM 605 CD2 HIS A 42 9.228 -8.287 8.244 1.00 51.42 C ATOM 606 CE1 HIS A 42 8.335 -7.272 9.990 1.00 72.23 C ATOM 607 NE2 HIS A 42 8.262 -8.396 9.251 1.00 10.11 N ATOM 0 H HIS A 42 9.776 -7.875 5.050 1.00 65.53 H new ATOM 0 HA HIS A 42 9.305 -6.075 6.233 1.00 45.22 H new ATOM 0 HB2 HIS A 42 11.769 -7.198 7.460 1.00 23.41 H new ATOM 0 HB3 HIS A 42 11.315 -5.589 7.985 1.00 23.41 H new ATOM 0 HD2 HIS A 42 9.426 -9.008 7.464 1.00 51.42 H new ATOM 0 HE1 HIS A 42 7.701 -7.045 10.834 1.00 72.23 H new ATOM 0 HE2 HIS A 42 7.624 -9.178 9.398 1.00 10.11 H new ATOM 614 N ASP A 43 11.123 -4.771 4.252 1.00 11.44 N ATOM 615 CA ASP A 43 11.620 -3.538 3.656 1.00 14.03 C ATOM 616 C ASP A 43 10.514 -2.502 3.541 1.00 12.45 C ATOM 617 O ASP A 43 9.335 -2.764 3.815 1.00 53.10 O ATOM 618 CB ASP A 43 12.297 -3.775 2.303 1.00 72.34 C ATOM 619 CG ASP A 43 13.743 -3.321 2.217 1.00 12.14 C ATOM 620 OD1 ASP A 43 14.596 -3.926 2.893 1.00 43.44 O ATOM 621 OD2 ASP A 43 14.026 -2.492 1.316 1.00 54.00 O ATOM 0 H ASP A 43 11.036 -5.549 3.598 1.00 11.44 H new ATOM 0 HA ASP A 43 12.385 -3.148 4.327 1.00 14.03 H new ATOM 0 HB2 ASP A 43 12.253 -4.840 2.074 1.00 72.34 H new ATOM 0 HB3 ASP A 43 11.724 -3.259 1.532 1.00 72.34 H new ATOM 625 N SER A 44 10.918 -1.310 3.117 1.00 42.54 N ATOM 626 CA SER A 44 10.029 -0.157 3.071 1.00 51.32 C ATOM 627 C SER A 44 10.505 0.962 2.142 1.00 30.13 C ATOM 628 O SER A 44 11.698 1.156 1.909 1.00 63.43 O ATOM 629 CB SER A 44 9.784 0.357 4.496 1.00 54.23 C ATOM 630 OG SER A 44 10.969 0.619 5.223 1.00 1.42 O ATOM 0 H SER A 44 11.867 -1.117 2.797 1.00 42.54 H new ATOM 0 HA SER A 44 9.089 -0.496 2.635 1.00 51.32 H new ATOM 0 HB2 SER A 44 9.191 1.270 4.445 1.00 54.23 H new ATOM 0 HB3 SER A 44 9.191 -0.378 5.040 1.00 54.23 H new ATOM 0 HG SER A 44 10.738 0.944 6.118 1.00 1.42 H new ATOM 635 N ILE A 45 9.542 1.722 1.625 1.00 51.51 N ATOM 636 CA ILE A 45 9.706 2.899 0.786 1.00 73.12 C ATOM 637 C ILE A 45 8.450 3.771 0.914 1.00 1.25 C ATOM 638 O ILE A 45 7.344 3.247 1.080 1.00 54.51 O ATOM 639 CB ILE A 45 10.006 2.442 -0.657 1.00 2.22 C ATOM 640 CG1 ILE A 45 10.322 3.638 -1.577 1.00 21.24 C ATOM 641 CG2 ILE A 45 8.905 1.538 -1.242 1.00 74.21 C ATOM 642 CD1 ILE A 45 10.713 3.212 -2.992 1.00 4.42 C ATOM 0 H ILE A 45 8.558 1.514 1.796 1.00 51.51 H new ATOM 0 HA ILE A 45 10.549 3.514 1.101 1.00 73.12 H new ATOM 0 HB ILE A 45 10.903 1.825 -0.604 1.00 2.22 H new ATOM 0 HG12 ILE A 45 9.451 4.292 -1.627 1.00 21.24 H new ATOM 0 HG13 ILE A 45 11.133 4.221 -1.141 1.00 21.24 H new ATOM 0 HG21 ILE A 45 9.173 1.249 -2.258 1.00 74.21 H new ATOM 0 HG22 ILE A 45 8.803 0.644 -0.626 1.00 74.21 H new ATOM 0 HG23 ILE A 45 7.959 2.079 -1.256 1.00 74.21 H new ATOM 0 HD11 ILE A 45 10.924 4.097 -3.593 1.00 4.42 H new ATOM 0 HD12 ILE A 45 11.601 2.582 -2.950 1.00 4.42 H new ATOM 0 HD13 ILE A 45 9.893 2.653 -3.443 1.00 4.42 H new ATOM 653 N ASP A 46 8.627 5.084 0.835 1.00 22.13 N ATOM 654 CA ASP A 46 7.608 6.133 0.887 1.00 33.42 C ATOM 655 C ASP A 46 7.775 6.910 -0.412 1.00 74.23 C ATOM 656 O ASP A 46 8.910 7.124 -0.850 1.00 62.21 O ATOM 657 CB ASP A 46 7.852 7.001 2.131 1.00 22.13 C ATOM 658 CG ASP A 46 6.878 8.103 2.507 1.00 23.02 C ATOM 659 OD1 ASP A 46 5.841 7.841 3.171 1.00 50.42 O ATOM 660 OD2 ASP A 46 7.315 9.266 2.421 1.00 12.54 O ATOM 0 H ASP A 46 9.561 5.478 0.724 1.00 22.13 H new ATOM 0 HA ASP A 46 6.589 5.755 0.970 1.00 33.42 H new ATOM 0 HB2 ASP A 46 7.920 6.327 2.985 1.00 22.13 H new ATOM 0 HB3 ASP A 46 8.831 7.464 2.012 1.00 22.13 H new ATOM 664 N PHE A 47 6.674 7.250 -1.075 1.00 25.34 N ATOM 665 CA PHE A 47 6.687 7.980 -2.338 1.00 63.43 C ATOM 666 C PHE A 47 5.625 9.069 -2.355 1.00 14.11 C ATOM 667 O PHE A 47 4.571 8.957 -1.714 1.00 43.32 O ATOM 668 CB PHE A 47 6.556 7.041 -3.553 1.00 1.51 C ATOM 669 CG PHE A 47 5.515 5.950 -3.481 1.00 21.13 C ATOM 670 CD1 PHE A 47 5.851 4.713 -2.905 1.00 64.24 C ATOM 671 CD2 PHE A 47 4.255 6.133 -4.075 1.00 11.23 C ATOM 672 CE1 PHE A 47 4.927 3.657 -2.918 1.00 51.52 C ATOM 673 CE2 PHE A 47 3.331 5.078 -4.088 1.00 4.43 C ATOM 674 CZ PHE A 47 3.663 3.843 -3.501 1.00 62.12 C ATOM 0 H PHE A 47 5.736 7.023 -0.746 1.00 25.34 H new ATOM 0 HA PHE A 47 7.660 8.464 -2.419 1.00 63.43 H new ATOM 0 HB2 PHE A 47 6.342 7.653 -4.429 1.00 1.51 H new ATOM 0 HB3 PHE A 47 7.525 6.571 -3.721 1.00 1.51 H new ATOM 0 HD1 PHE A 47 6.822 4.575 -2.452 1.00 64.24 H new ATOM 0 HD2 PHE A 47 3.999 7.083 -4.520 1.00 11.23 H new ATOM 0 HE1 PHE A 47 5.187 2.704 -2.481 1.00 51.52 H new ATOM 0 HE2 PHE A 47 2.364 5.214 -4.549 1.00 4.43 H new ATOM 0 HZ PHE A 47 2.944 3.037 -3.499 1.00 62.12 H new ATOM 683 N SER A 48 5.898 10.113 -3.143 1.00 1.30 N ATOM 684 CA SER A 48 4.954 11.175 -3.417 1.00 1.20 C ATOM 685 C SER A 48 3.748 10.579 -4.131 1.00 72.14 C ATOM 686 O SER A 48 3.876 9.699 -4.987 1.00 61.02 O ATOM 687 CB SER A 48 5.644 12.266 -4.251 1.00 34.14 C ATOM 688 OG SER A 48 4.815 13.396 -4.467 1.00 43.32 O ATOM 0 H SER A 48 6.796 10.236 -3.610 1.00 1.30 H new ATOM 0 HA SER A 48 4.607 11.641 -2.495 1.00 1.20 H new ATOM 0 HB2 SER A 48 6.557 12.581 -3.745 1.00 34.14 H new ATOM 0 HB3 SER A 48 5.941 11.849 -5.213 1.00 34.14 H new ATOM 0 HG SER A 48 5.300 14.060 -5.000 1.00 43.32 H new ATOM 693 N SER A 49 2.575 11.086 -3.780 1.00 52.25 N ATOM 694 CA SER A 49 1.342 10.881 -4.492 1.00 62.33 C ATOM 695 C SER A 49 1.161 12.146 -5.320 1.00 65.13 C ATOM 696 O SER A 49 1.194 13.241 -4.767 1.00 12.44 O ATOM 697 CB SER A 49 0.252 10.693 -3.442 1.00 33.10 C ATOM 698 OG SER A 49 -1.041 10.863 -3.967 1.00 5.44 O ATOM 0 H SER A 49 2.462 11.675 -2.955 1.00 52.25 H new ATOM 0 HA SER A 49 1.318 10.010 -5.147 1.00 62.33 H new ATOM 0 HB2 SER A 49 0.337 9.695 -3.011 1.00 33.10 H new ATOM 0 HB3 SER A 49 0.407 11.405 -2.631 1.00 33.10 H new ATOM 0 HG SER A 49 -1.284 10.076 -4.498 1.00 5.44 H new ATOM 703 N ASP A 50 0.958 11.992 -6.628 1.00 34.23 N ATOM 704 CA ASP A 50 0.674 13.086 -7.558 1.00 63.14 C ATOM 705 C ASP A 50 -0.781 13.560 -7.427 1.00 64.41 C ATOM 706 O ASP A 50 -1.495 13.691 -8.423 1.00 21.01 O ATOM 707 CB ASP A 50 0.979 12.628 -8.988 1.00 41.54 C ATOM 708 CG ASP A 50 1.070 13.817 -9.949 1.00 24.43 C ATOM 709 OD1 ASP A 50 1.931 14.699 -9.726 1.00 71.44 O ATOM 710 OD2 ASP A 50 0.363 13.815 -10.988 1.00 62.24 O ATOM 0 H ASP A 50 0.987 11.079 -7.083 1.00 34.23 H new ATOM 0 HA ASP A 50 1.312 13.935 -7.313 1.00 63.14 H new ATOM 0 HB2 ASP A 50 1.918 12.075 -9.002 1.00 41.54 H new ATOM 0 HB3 ASP A 50 0.201 11.944 -9.326 1.00 41.54 H new ATOM 714 N ALA A 51 -1.276 13.704 -6.198 1.00 41.42 N ATOM 715 CA ALA A 51 -2.636 14.117 -5.925 1.00 30.44 C ATOM 716 C ALA A 51 -2.668 14.873 -4.600 1.00 31.00 C ATOM 717 O ALA A 51 -1.885 14.599 -3.679 1.00 4.42 O ATOM 718 CB ALA A 51 -3.542 12.878 -5.897 1.00 32.12 C ATOM 0 H ALA A 51 -0.727 13.532 -5.356 1.00 41.42 H new ATOM 0 HA ALA A 51 -3.003 14.784 -6.705 1.00 30.44 H new ATOM 0 HB1 ALA A 51 -4.568 13.182 -5.692 1.00 32.12 H new ATOM 0 HB2 ALA A 51 -3.499 12.374 -6.863 1.00 32.12 H new ATOM 0 HB3 ALA A 51 -3.203 12.197 -5.117 1.00 32.12 H new ATOM 724 N GLY A 52 -3.616 15.798 -4.486 1.00 43.55 N ATOM 725 CA GLY A 52 -3.836 16.545 -3.263 1.00 31.13 C ATOM 726 C GLY A 52 -4.379 15.633 -2.167 1.00 23.12 C ATOM 727 O GLY A 52 -3.910 15.702 -1.029 1.00 71.15 O ATOM 0 H GLY A 52 -4.252 16.047 -5.243 1.00 43.55 H new ATOM 0 HA2 GLY A 52 -2.901 17.000 -2.935 1.00 31.13 H new ATOM 0 HA3 GLY A 52 -4.538 17.358 -3.448 1.00 31.13 H new ATOM 731 N SER A 53 -5.322 14.754 -2.507 1.00 22.21 N ATOM 732 CA SER A 53 -6.115 14.002 -1.545 1.00 22.32 C ATOM 733 C SER A 53 -6.362 12.567 -2.025 1.00 70.11 C ATOM 734 O SER A 53 -6.306 12.286 -3.228 1.00 73.42 O ATOM 735 CB SER A 53 -7.421 14.777 -1.306 1.00 70.41 C ATOM 736 OG SER A 53 -7.986 15.214 -2.533 1.00 14.34 O ATOM 0 H SER A 53 -5.557 14.544 -3.477 1.00 22.21 H new ATOM 0 HA SER A 53 -5.578 13.904 -0.602 1.00 22.32 H new ATOM 0 HB2 SER A 53 -8.133 14.142 -0.779 1.00 70.41 H new ATOM 0 HB3 SER A 53 -7.226 15.637 -0.665 1.00 70.41 H new ATOM 0 HG SER A 53 -8.817 15.703 -2.355 1.00 14.34 H new ATOM 741 N VAL A 54 -6.618 11.656 -1.080 1.00 64.42 N ATOM 742 CA VAL A 54 -6.881 10.238 -1.315 1.00 1.11 C ATOM 743 C VAL A 54 -7.885 9.757 -0.265 1.00 70.02 C ATOM 744 O VAL A 54 -7.753 10.067 0.927 1.00 41.35 O ATOM 745 CB VAL A 54 -5.559 9.432 -1.235 1.00 23.43 C ATOM 746 CG1 VAL A 54 -5.766 7.913 -1.371 1.00 72.35 C ATOM 747 CG2 VAL A 54 -4.565 9.876 -2.314 1.00 54.43 C ATOM 0 H VAL A 54 -6.648 11.900 -0.090 1.00 64.42 H new ATOM 0 HA VAL A 54 -7.298 10.087 -2.311 1.00 1.11 H new ATOM 0 HB VAL A 54 -5.161 9.641 -0.242 1.00 23.43 H new ATOM 0 HG11 VAL A 54 -4.803 7.407 -1.307 1.00 72.35 H new ATOM 0 HG12 VAL A 54 -6.415 7.561 -0.569 1.00 72.35 H new ATOM 0 HG13 VAL A 54 -6.227 7.693 -2.334 1.00 72.35 H new ATOM 0 HG21 VAL A 54 -3.650 9.290 -2.229 1.00 54.43 H new ATOM 0 HG22 VAL A 54 -5.004 9.721 -3.299 1.00 54.43 H new ATOM 0 HG23 VAL A 54 -4.333 10.933 -2.182 1.00 54.43 H new ATOM 757 N TYR A 55 -8.853 8.942 -0.694 1.00 32.23 N ATOM 758 CA TYR A 55 -9.833 8.279 0.170 1.00 70.02 C ATOM 759 C TYR A 55 -10.052 6.800 -0.185 1.00 31.41 C ATOM 760 O TYR A 55 -10.920 6.140 0.385 1.00 62.31 O ATOM 761 CB TYR A 55 -11.138 9.076 0.176 1.00 13.23 C ATOM 762 CG TYR A 55 -11.639 9.571 -1.176 1.00 53.25 C ATOM 763 CD1 TYR A 55 -11.898 8.675 -2.234 1.00 63.45 C ATOM 764 CD2 TYR A 55 -11.853 10.946 -1.376 1.00 11.43 C ATOM 765 CE1 TYR A 55 -12.367 9.151 -3.476 1.00 21.13 C ATOM 766 CE2 TYR A 55 -12.356 11.426 -2.599 1.00 70.01 C ATOM 767 CZ TYR A 55 -12.616 10.528 -3.653 1.00 71.02 C ATOM 768 OH TYR A 55 -13.101 10.979 -4.841 1.00 74.12 O ATOM 0 H TYR A 55 -8.980 8.719 -1.681 1.00 32.23 H new ATOM 0 HA TYR A 55 -9.428 8.265 1.182 1.00 70.02 H new ATOM 0 HB2 TYR A 55 -11.915 8.455 0.621 1.00 13.23 H new ATOM 0 HB3 TYR A 55 -11.007 9.939 0.828 1.00 13.23 H new ATOM 0 HD1 TYR A 55 -11.736 7.617 -2.092 1.00 63.45 H new ATOM 0 HD2 TYR A 55 -11.629 11.642 -0.581 1.00 11.43 H new ATOM 0 HE1 TYR A 55 -12.535 8.462 -4.290 1.00 21.13 H new ATOM 0 HE2 TYR A 55 -12.543 12.482 -2.730 1.00 70.01 H new ATOM 0 HH TYR A 55 -13.218 11.951 -4.799 1.00 74.12 H new ATOM 777 N LYS A 56 -9.270 6.249 -1.113 1.00 22.24 N ATOM 778 CA LYS A 56 -9.361 4.864 -1.568 1.00 11.23 C ATOM 779 C LYS A 56 -7.974 4.424 -2.012 1.00 21.02 C ATOM 780 O LYS A 56 -7.184 5.277 -2.413 1.00 4.32 O ATOM 781 CB LYS A 56 -10.389 4.763 -2.710 1.00 71.03 C ATOM 782 CG LYS A 56 -10.076 5.649 -3.937 1.00 30.13 C ATOM 783 CD LYS A 56 -11.319 5.966 -4.775 1.00 2.34 C ATOM 784 CE LYS A 56 -11.859 4.770 -5.554 1.00 22.14 C ATOM 785 NZ LYS A 56 -12.979 5.152 -6.439 1.00 3.23 N ATOM 0 H LYS A 56 -8.532 6.773 -1.583 1.00 22.24 H new ATOM 0 HA LYS A 56 -9.701 4.206 -0.768 1.00 11.23 H new ATOM 0 HB2 LYS A 56 -10.451 3.724 -3.035 1.00 71.03 H new ATOM 0 HB3 LYS A 56 -11.371 5.035 -2.323 1.00 71.03 H new ATOM 0 HG2 LYS A 56 -9.624 6.582 -3.600 1.00 30.13 H new ATOM 0 HG3 LYS A 56 -9.340 5.146 -4.564 1.00 30.13 H new ATOM 0 HD2 LYS A 56 -12.102 6.343 -4.117 1.00 2.34 H new ATOM 0 HD3 LYS A 56 -11.079 6.766 -5.476 1.00 2.34 H new ATOM 0 HE2 LYS A 56 -11.058 4.333 -6.150 1.00 22.14 H new ATOM 0 HE3 LYS A 56 -12.193 4.002 -4.856 1.00 22.14 H new ATOM 0 HZ1 LYS A 56 -13.001 4.519 -7.264 1.00 3.23 H new ATOM 0 HZ2 LYS A 56 -13.876 5.073 -5.918 1.00 3.23 H new ATOM 0 HZ3 LYS A 56 -12.850 6.133 -6.759 1.00 3.23 H new ATOM 795 N MET A 57 -7.664 3.132 -1.961 1.00 13.43 N ATOM 796 CA MET A 57 -6.361 2.625 -2.366 1.00 45.42 C ATOM 797 C MET A 57 -6.516 1.181 -2.802 1.00 23.30 C ATOM 798 O MET A 57 -7.014 0.368 -2.032 1.00 31.22 O ATOM 799 CB MET A 57 -5.347 2.745 -1.217 1.00 12.30 C ATOM 800 CG MET A 57 -3.988 2.172 -1.629 1.00 52.21 C ATOM 801 SD MET A 57 -2.635 2.523 -0.483 1.00 43.45 S ATOM 802 CE MET A 57 -2.138 4.146 -1.102 1.00 50.35 C ATOM 0 H MET A 57 -8.308 2.410 -1.638 1.00 13.43 H new ATOM 0 HA MET A 57 -5.980 3.218 -3.198 1.00 45.42 H new ATOM 0 HB2 MET A 57 -5.235 3.791 -0.933 1.00 12.30 H new ATOM 0 HB3 MET A 57 -5.720 2.215 -0.340 1.00 12.30 H new ATOM 0 HG2 MET A 57 -4.083 1.091 -1.736 1.00 52.21 H new ATOM 0 HG3 MET A 57 -3.726 2.568 -2.610 1.00 52.21 H new ATOM 0 HE1 MET A 57 -1.546 4.659 -0.344 1.00 50.35 H new ATOM 0 HE2 MET A 57 -1.542 4.024 -2.007 1.00 50.35 H new ATOM 0 HE3 MET A 57 -3.026 4.736 -1.329 1.00 50.35 H new ATOM 810 N ASP A 58 -6.037 0.849 -3.994 1.00 45.34 N ATOM 811 CA ASP A 58 -6.168 -0.482 -4.563 1.00 64.25 C ATOM 812 C ASP A 58 -4.779 -0.973 -4.900 1.00 42.12 C ATOM 813 O ASP A 58 -4.123 -0.490 -5.826 1.00 71.15 O ATOM 814 CB ASP A 58 -7.105 -0.503 -5.774 1.00 41.55 C ATOM 815 CG ASP A 58 -8.591 -0.529 -5.414 1.00 31.13 C ATOM 816 OD1 ASP A 58 -8.994 -0.176 -4.290 1.00 41.42 O ATOM 817 OD2 ASP A 58 -9.391 -0.895 -6.304 1.00 3.52 O ATOM 0 H ASP A 58 -5.542 1.505 -4.598 1.00 45.34 H new ATOM 0 HA ASP A 58 -6.630 -1.153 -3.839 1.00 64.25 H new ATOM 0 HB2 ASP A 58 -6.906 0.375 -6.389 1.00 41.55 H new ATOM 0 HB3 ASP A 58 -6.874 -1.377 -6.383 1.00 41.55 H new ATOM 821 N VAL A 59 -4.302 -1.890 -4.068 1.00 13.41 N ATOM 822 CA VAL A 59 -3.013 -2.536 -4.230 1.00 42.33 C ATOM 823 C VAL A 59 -3.161 -3.557 -5.360 1.00 5.11 C ATOM 824 O VAL A 59 -4.251 -4.081 -5.596 1.00 1.42 O ATOM 825 CB VAL A 59 -2.617 -3.263 -2.921 1.00 70.32 C ATOM 826 CG1 VAL A 59 -2.919 -2.430 -1.668 1.00 32.05 C ATOM 827 CG2 VAL A 59 -3.244 -4.635 -2.722 1.00 5.45 C ATOM 0 H VAL A 59 -4.814 -2.210 -3.246 1.00 13.41 H new ATOM 0 HA VAL A 59 -2.240 -1.803 -4.461 1.00 42.33 H new ATOM 0 HB VAL A 59 -1.543 -3.400 -3.048 1.00 70.32 H new ATOM 0 HG11 VAL A 59 -2.622 -2.988 -0.780 1.00 32.05 H new ATOM 0 HG12 VAL A 59 -2.363 -1.493 -1.711 1.00 32.05 H new ATOM 0 HG13 VAL A 59 -3.987 -2.217 -1.622 1.00 32.05 H new ATOM 0 HG21 VAL A 59 -2.902 -5.058 -1.777 1.00 5.45 H new ATOM 0 HG22 VAL A 59 -4.330 -4.540 -2.706 1.00 5.45 H new ATOM 0 HG23 VAL A 59 -2.950 -5.292 -3.541 1.00 5.45 H new ATOM 837 N THR A 60 -2.080 -3.981 -5.982 1.00 23.02 N ATOM 838 CA THR A 60 -2.035 -5.305 -6.575 1.00 5.21 C ATOM 839 C THR A 60 -0.558 -5.583 -6.716 1.00 22.41 C ATOM 840 O THR A 60 0.181 -4.792 -7.308 1.00 32.05 O ATOM 841 CB THR A 60 -2.904 -5.436 -7.851 1.00 54.30 C ATOM 842 OG1 THR A 60 -2.440 -6.422 -8.752 1.00 11.52 O ATOM 843 CG2 THR A 60 -3.166 -4.130 -8.586 1.00 10.23 C ATOM 0 H THR A 60 -1.226 -3.434 -6.091 1.00 23.02 H new ATOM 0 HA THR A 60 -2.500 -6.079 -5.964 1.00 5.21 H new ATOM 0 HB THR A 60 -3.864 -5.765 -7.454 1.00 54.30 H new ATOM 0 HG1 THR A 60 -3.031 -6.456 -9.533 1.00 11.52 H new ATOM 0 HG21 THR A 60 -3.782 -4.324 -9.464 1.00 10.23 H new ATOM 0 HG22 THR A 60 -3.686 -3.438 -7.924 1.00 10.23 H new ATOM 0 HG23 THR A 60 -2.218 -3.691 -8.897 1.00 10.23 H new ATOM 851 N GLY A 61 -0.109 -6.645 -6.062 1.00 21.35 N ATOM 852 CA GLY A 61 1.283 -7.054 -6.154 1.00 22.34 C ATOM 853 C GLY A 61 1.383 -8.552 -6.341 1.00 74.31 C ATOM 854 O GLY A 61 0.374 -9.254 -6.361 1.00 70.11 O ATOM 0 H GLY A 61 -0.687 -7.236 -5.464 1.00 21.35 H new ATOM 0 HA2 GLY A 61 1.764 -6.544 -6.989 1.00 22.34 H new ATOM 0 HA3 GLY A 61 1.816 -6.758 -5.250 1.00 22.34 H new ATOM 858 N THR A 62 2.609 -9.031 -6.525 1.00 1.35 N ATOM 859 CA THR A 62 2.927 -10.449 -6.618 1.00 51.13 C ATOM 860 C THR A 62 4.195 -10.717 -5.802 1.00 24.35 C ATOM 861 O THR A 62 5.156 -9.941 -5.897 1.00 41.44 O ATOM 862 CB THR A 62 3.092 -10.899 -8.084 1.00 31.25 C ATOM 863 OG1 THR A 62 2.148 -10.278 -8.941 1.00 31.04 O ATOM 864 CG2 THR A 62 2.904 -12.406 -8.203 1.00 23.23 C ATOM 0 H THR A 62 3.427 -8.429 -6.616 1.00 1.35 H new ATOM 0 HA THR A 62 2.102 -11.033 -6.211 1.00 51.13 H new ATOM 0 HB THR A 62 4.098 -10.607 -8.385 1.00 31.25 H new ATOM 0 HG1 THR A 62 2.287 -10.588 -9.860 1.00 31.04 H new ATOM 0 HG21 THR A 62 3.024 -12.707 -9.244 1.00 23.23 H new ATOM 0 HG22 THR A 62 3.648 -12.915 -7.590 1.00 23.23 H new ATOM 0 HG23 THR A 62 1.905 -12.676 -7.860 1.00 23.23 H new ATOM 872 N THR A 63 4.173 -11.764 -4.981 1.00 31.32 N ATOM 873 CA THR A 63 5.270 -12.215 -4.125 1.00 30.01 C ATOM 874 C THR A 63 6.396 -12.851 -4.940 1.00 64.40 C ATOM 875 O THR A 63 6.266 -13.064 -6.148 1.00 23.05 O ATOM 876 CB THR A 63 4.735 -13.167 -3.040 1.00 4.23 C ATOM 877 OG1 THR A 63 4.495 -14.460 -3.567 1.00 64.00 O ATOM 878 CG2 THR A 63 3.456 -12.638 -2.394 1.00 13.43 C ATOM 0 H THR A 63 3.345 -12.353 -4.889 1.00 31.32 H new ATOM 0 HA THR A 63 5.702 -11.345 -3.630 1.00 30.01 H new ATOM 0 HB THR A 63 5.508 -13.228 -2.274 1.00 4.23 H new ATOM 0 HG1 THR A 63 4.158 -15.045 -2.857 1.00 64.00 H new ATOM 0 HG21 THR A 63 3.114 -13.341 -1.635 1.00 13.43 H new ATOM 0 HG22 THR A 63 3.655 -11.672 -1.930 1.00 13.43 H new ATOM 0 HG23 THR A 63 2.685 -12.523 -3.155 1.00 13.43 H new ATOM 886 N GLN A 64 7.504 -13.166 -4.266 1.00 41.10 N ATOM 887 CA GLN A 64 8.621 -13.927 -4.799 1.00 74.04 C ATOM 888 C GLN A 64 8.154 -15.297 -5.281 1.00 2.24 C ATOM 889 O GLN A 64 8.607 -15.740 -6.335 1.00 2.14 O ATOM 890 CB GLN A 64 9.686 -14.090 -3.717 1.00 61.00 C ATOM 891 CG GLN A 64 10.969 -14.722 -4.271 1.00 24.02 C ATOM 892 CD GLN A 64 12.008 -14.800 -3.169 1.00 22.24 C ATOM 893 OE1 GLN A 64 12.088 -15.775 -2.432 1.00 70.31 O ATOM 894 NE2 GLN A 64 12.751 -13.737 -2.949 1.00 50.14 N ATOM 0 H GLN A 64 7.647 -12.884 -3.296 1.00 41.10 H new ATOM 0 HA GLN A 64 9.043 -13.389 -5.648 1.00 74.04 H new ATOM 0 HB2 GLN A 64 9.918 -13.116 -3.285 1.00 61.00 H new ATOM 0 HB3 GLN A 64 9.294 -14.711 -2.911 1.00 61.00 H new ATOM 0 HG2 GLN A 64 10.759 -15.719 -4.659 1.00 24.02 H new ATOM 0 HG3 GLN A 64 11.349 -14.130 -5.103 1.00 24.02 H new ATOM 0 HE21 GLN A 64 12.680 -12.928 -3.566 1.00 50.14 H new ATOM 0 HE22 GLN A 64 13.398 -13.722 -2.161 1.00 50.14 H new ATOM 901 N SER A 65 7.247 -15.950 -4.539 1.00 53.52 N ATOM 902 CA SER A 65 6.737 -17.248 -4.959 1.00 12.21 C ATOM 903 C SER A 65 6.010 -17.077 -6.294 1.00 74.42 C ATOM 904 O SER A 65 6.146 -17.899 -7.202 1.00 50.10 O ATOM 905 CB SER A 65 5.824 -17.826 -3.867 1.00 4.41 C ATOM 906 OG SER A 65 5.486 -19.173 -4.134 1.00 65.43 O ATOM 0 H SER A 65 6.862 -15.602 -3.661 1.00 53.52 H new ATOM 0 HA SER A 65 7.552 -17.958 -5.102 1.00 12.21 H new ATOM 0 HB2 SER A 65 6.324 -17.760 -2.901 1.00 4.41 H new ATOM 0 HB3 SER A 65 4.915 -17.229 -3.797 1.00 4.41 H new ATOM 0 HG SER A 65 4.906 -19.512 -3.421 1.00 65.43 H new ATOM 911 N GLY A 66 5.285 -15.967 -6.435 1.00 70.23 N ATOM 912 CA GLY A 66 4.442 -15.671 -7.573 1.00 5.15 C ATOM 913 C GLY A 66 2.976 -15.607 -7.163 1.00 74.42 C ATOM 914 O GLY A 66 2.121 -15.664 -8.053 1.00 33.11 O ATOM 0 H GLY A 66 5.274 -15.229 -5.731 1.00 70.23 H new ATOM 0 HA2 GLY A 66 4.742 -14.721 -8.015 1.00 5.15 H new ATOM 0 HA3 GLY A 66 4.576 -16.435 -8.339 1.00 5.15 H new ATOM 918 N GLU A 67 2.663 -15.504 -5.862 1.00 21.35 N ATOM 919 CA GLU A 67 1.292 -15.358 -5.409 1.00 30.03 C ATOM 920 C GLU A 67 0.930 -13.920 -5.630 1.00 11.21 C ATOM 921 O GLU A 67 1.698 -13.014 -5.310 1.00 51.23 O ATOM 922 CB GLU A 67 1.142 -15.673 -3.920 1.00 41.21 C ATOM 923 CG GLU A 67 1.019 -17.179 -3.701 1.00 42.12 C ATOM 924 CD GLU A 67 1.706 -17.587 -2.412 1.00 34.12 C ATOM 925 OE1 GLU A 67 1.253 -17.126 -1.341 1.00 65.33 O ATOM 926 OE2 GLU A 67 2.771 -18.233 -2.516 1.00 30.13 O ATOM 0 H GLU A 67 3.352 -15.520 -5.110 1.00 21.35 H new ATOM 0 HA GLU A 67 0.650 -16.050 -5.954 1.00 30.03 H new ATOM 0 HB2 GLU A 67 2.003 -15.289 -3.373 1.00 41.21 H new ATOM 0 HB3 GLU A 67 0.261 -15.169 -3.523 1.00 41.21 H new ATOM 0 HG2 GLU A 67 -0.033 -17.462 -3.665 1.00 42.12 H new ATOM 0 HG3 GLU A 67 1.464 -17.712 -4.541 1.00 42.12 H new ATOM 931 N LYS A 68 -0.232 -13.711 -6.214 1.00 32.31 N ATOM 932 CA LYS A 68 -0.785 -12.398 -6.374 1.00 64.43 C ATOM 933 C LYS A 68 -1.579 -12.119 -5.122 1.00 3.33 C ATOM 934 O LYS A 68 -2.128 -13.025 -4.489 1.00 10.25 O ATOM 935 CB LYS A 68 -1.625 -12.389 -7.648 1.00 2.45 C ATOM 936 CG LYS A 68 -2.192 -11.012 -7.985 1.00 33.45 C ATOM 937 CD LYS A 68 -2.370 -10.890 -9.498 1.00 41.12 C ATOM 938 CE LYS A 68 -3.251 -9.693 -9.835 1.00 71.23 C ATOM 939 NZ LYS A 68 -3.740 -9.764 -11.221 1.00 70.00 N ATOM 0 H LYS A 68 -0.817 -14.457 -6.591 1.00 32.31 H new ATOM 0 HA LYS A 68 -0.037 -11.613 -6.489 1.00 64.43 H new ATOM 0 HB2 LYS A 68 -1.014 -12.737 -8.481 1.00 2.45 H new ATOM 0 HB3 LYS A 68 -2.447 -13.096 -7.538 1.00 2.45 H new ATOM 0 HG2 LYS A 68 -3.149 -10.868 -7.483 1.00 33.45 H new ATOM 0 HG3 LYS A 68 -1.522 -10.232 -7.623 1.00 33.45 H new ATOM 0 HD2 LYS A 68 -1.397 -10.780 -9.977 1.00 41.12 H new ATOM 0 HD3 LYS A 68 -2.818 -11.802 -9.892 1.00 41.12 H new ATOM 0 HE2 LYS A 68 -4.098 -9.657 -9.150 1.00 71.23 H new ATOM 0 HE3 LYS A 68 -2.687 -8.771 -9.693 1.00 71.23 H new ATOM 0 HZ1 LYS A 68 -4.337 -8.936 -11.421 1.00 70.00 H new ATOM 0 HZ2 LYS A 68 -2.931 -9.774 -11.874 1.00 70.00 H new ATOM 0 HZ3 LYS A 68 -4.298 -10.632 -11.348 1.00 70.00 H new ATOM 949 N PHE A 69 -1.627 -10.849 -4.774 1.00 65.24 N ATOM 950 CA PHE A 69 -2.551 -10.346 -3.789 1.00 42.33 C ATOM 951 C PHE A 69 -3.217 -9.133 -4.387 1.00 72.24 C ATOM 952 O PHE A 69 -2.564 -8.298 -5.032 1.00 45.33 O ATOM 953 CB PHE A 69 -1.818 -10.043 -2.488 1.00 71.00 C ATOM 954 CG PHE A 69 -0.660 -9.072 -2.610 1.00 11.41 C ATOM 955 CD1 PHE A 69 0.592 -9.568 -3.041 1.00 5.55 C ATOM 956 CD2 PHE A 69 -0.817 -7.709 -2.248 1.00 2.43 C ATOM 957 CE1 PHE A 69 1.705 -8.715 -3.108 1.00 25.22 C ATOM 958 CE2 PHE A 69 0.313 -6.859 -2.354 1.00 70.20 C ATOM 959 CZ PHE A 69 1.571 -7.363 -2.767 1.00 61.34 C ATOM 0 H PHE A 69 -1.019 -10.134 -5.173 1.00 65.24 H new ATOM 0 HA PHE A 69 -3.315 -11.081 -3.535 1.00 42.33 H new ATOM 0 HB2 PHE A 69 -2.534 -9.641 -1.771 1.00 71.00 H new ATOM 0 HB3 PHE A 69 -1.444 -10.979 -2.074 1.00 71.00 H new ATOM 0 HD1 PHE A 69 0.692 -10.607 -3.320 1.00 5.55 H new ATOM 0 HD2 PHE A 69 -1.768 -7.331 -1.902 1.00 2.43 H new ATOM 0 HE1 PHE A 69 2.664 -9.101 -3.422 1.00 25.22 H new ATOM 0 HE2 PHE A 69 0.213 -5.810 -2.116 1.00 70.20 H new ATOM 0 HZ PHE A 69 2.426 -6.705 -2.819 1.00 61.34 H new ATOM 968 N THR A 70 -4.514 -9.032 -4.152 1.00 45.31 N ATOM 969 CA THR A 70 -5.259 -7.819 -4.335 1.00 45.31 C ATOM 970 C THR A 70 -5.885 -7.482 -3.005 1.00 51.51 C ATOM 971 O THR A 70 -6.185 -8.359 -2.204 1.00 74.42 O ATOM 972 CB THR A 70 -6.284 -7.968 -5.451 1.00 23.41 C ATOM 973 OG1 THR A 70 -7.183 -9.049 -5.271 1.00 10.13 O ATOM 974 CG2 THR A 70 -5.607 -8.125 -6.801 1.00 74.02 C ATOM 0 H THR A 70 -5.081 -9.813 -3.822 1.00 45.31 H new ATOM 0 HA THR A 70 -4.612 -7.000 -4.649 1.00 45.31 H new ATOM 0 HB THR A 70 -6.865 -7.047 -5.416 1.00 23.41 H new ATOM 0 HG1 THR A 70 -7.811 -9.081 -6.023 1.00 10.13 H new ATOM 0 HG21 THR A 70 -6.364 -8.229 -7.578 1.00 74.02 H new ATOM 0 HG22 THR A 70 -4.996 -7.246 -7.006 1.00 74.02 H new ATOM 0 HG23 THR A 70 -4.974 -9.012 -6.790 1.00 74.02 H new ATOM 982 N GLY A 71 -6.027 -6.190 -2.766 1.00 4.51 N ATOM 983 CA GLY A 71 -6.430 -5.700 -1.456 1.00 23.22 C ATOM 984 C GLY A 71 -7.790 -5.060 -1.533 1.00 61.01 C ATOM 985 O GLY A 71 -8.826 -5.658 -1.238 1.00 25.24 O ATOM 0 H GLY A 71 -5.870 -5.460 -3.461 1.00 4.51 H new ATOM 0 HA2 GLY A 71 -6.448 -6.523 -0.742 1.00 23.22 H new ATOM 0 HA3 GLY A 71 -5.701 -4.977 -1.090 1.00 23.22 H new ATOM 989 N HIS A 72 -7.724 -3.865 -2.079 1.00 33.30 N ATOM 990 CA HIS A 72 -8.809 -2.973 -2.499 1.00 51.51 C ATOM 991 C HIS A 72 -9.446 -2.317 -1.286 1.00 12.53 C ATOM 992 O HIS A 72 -10.055 -3.000 -0.460 1.00 64.33 O ATOM 993 CB HIS A 72 -9.906 -3.647 -3.351 1.00 5.24 C ATOM 994 CG HIS A 72 -9.425 -4.288 -4.626 1.00 64.33 C ATOM 995 ND1 HIS A 72 -9.190 -3.648 -5.826 1.00 11.20 N ATOM 996 CD2 HIS A 72 -9.134 -5.613 -4.793 1.00 30.32 C ATOM 997 CE1 HIS A 72 -8.757 -4.564 -6.700 1.00 31.20 C ATOM 998 NE2 HIS A 72 -8.693 -5.764 -6.110 1.00 62.13 N ATOM 0 H HIS A 72 -6.816 -3.439 -2.264 1.00 33.30 H new ATOM 0 HA HIS A 72 -8.338 -2.231 -3.144 1.00 51.51 H new ATOM 0 HB2 HIS A 72 -10.399 -4.407 -2.745 1.00 5.24 H new ATOM 0 HB3 HIS A 72 -10.660 -2.900 -3.601 1.00 5.24 H new ATOM 0 HD1 HIS A 72 -9.323 -2.654 -6.013 1.00 11.20 H new ATOM 0 HD2 HIS A 72 -9.227 -6.392 -4.051 1.00 30.32 H new ATOM 0 HE1 HIS A 72 -8.498 -4.365 -7.729 1.00 31.20 H new ATOM 1005 N PHE A 73 -9.279 -1.011 -1.140 1.00 64.11 N ATOM 1006 CA PHE A 73 -9.660 -0.274 0.052 1.00 12.32 C ATOM 1007 C PHE A 73 -10.393 1.002 -0.347 1.00 54.34 C ATOM 1008 O PHE A 73 -10.123 1.607 -1.395 1.00 31.44 O ATOM 1009 CB PHE A 73 -8.415 0.026 0.902 1.00 45.41 C ATOM 1010 CG PHE A 73 -7.637 -1.206 1.347 1.00 63.25 C ATOM 1011 CD1 PHE A 73 -7.976 -1.837 2.558 1.00 42.42 C ATOM 1012 CD2 PHE A 73 -6.582 -1.735 0.572 1.00 30.02 C ATOM 1013 CE1 PHE A 73 -7.245 -2.953 3.009 1.00 45.24 C ATOM 1014 CE2 PHE A 73 -5.886 -2.884 1.000 1.00 21.30 C ATOM 1015 CZ PHE A 73 -6.214 -3.488 2.222 1.00 51.24 C ATOM 0 H PHE A 73 -8.866 -0.423 -1.864 1.00 64.11 H new ATOM 0 HA PHE A 73 -10.338 -0.875 0.658 1.00 12.32 H new ATOM 0 HB2 PHE A 73 -7.749 0.673 0.331 1.00 45.41 H new ATOM 0 HB3 PHE A 73 -8.721 0.585 1.786 1.00 45.41 H new ATOM 0 HD1 PHE A 73 -8.802 -1.463 3.145 1.00 42.42 H new ATOM 0 HD2 PHE A 73 -6.306 -1.256 -0.356 1.00 30.02 H new ATOM 0 HE1 PHE A 73 -7.479 -3.399 3.964 1.00 45.24 H new ATOM 0 HE2 PHE A 73 -5.100 -3.299 0.386 1.00 21.30 H new ATOM 0 HZ PHE A 73 -5.675 -4.362 2.556 1.00 51.24 H new ATOM 1024 N LYS A 74 -11.312 1.431 0.514 1.00 63.33 N ATOM 1025 CA LYS A 74 -12.097 2.664 0.430 1.00 34.31 C ATOM 1026 C LYS A 74 -12.308 3.156 1.859 1.00 53.21 C ATOM 1027 O LYS A 74 -11.870 2.506 2.814 1.00 33.23 O ATOM 1028 CB LYS A 74 -13.454 2.411 -0.253 1.00 73.22 C ATOM 1029 CG LYS A 74 -13.361 2.266 -1.773 1.00 34.34 C ATOM 1030 CD LYS A 74 -14.755 2.019 -2.361 1.00 24.01 C ATOM 1031 CE LYS A 74 -14.595 1.559 -3.810 1.00 13.13 C ATOM 1032 NZ LYS A 74 -15.809 0.896 -4.322 1.00 30.12 N ATOM 0 H LYS A 74 -11.546 0.891 1.347 1.00 63.33 H new ATOM 0 HA LYS A 74 -11.571 3.408 -0.169 1.00 34.31 H new ATOM 0 HB2 LYS A 74 -13.897 1.506 0.163 1.00 73.22 H new ATOM 0 HB3 LYS A 74 -14.129 3.234 -0.016 1.00 73.22 H new ATOM 0 HG2 LYS A 74 -12.928 3.167 -2.207 1.00 34.34 H new ATOM 0 HG3 LYS A 74 -12.698 1.440 -2.028 1.00 34.34 H new ATOM 0 HD2 LYS A 74 -15.283 1.263 -1.780 1.00 24.01 H new ATOM 0 HD3 LYS A 74 -15.352 2.930 -2.316 1.00 24.01 H new ATOM 0 HE2 LYS A 74 -14.360 2.418 -4.438 1.00 13.13 H new ATOM 0 HE3 LYS A 74 -13.751 0.873 -3.880 1.00 13.13 H new ATOM 0 HZ1 LYS A 74 -15.654 0.601 -5.307 1.00 30.12 H new ATOM 0 HZ2 LYS A 74 -16.020 0.060 -3.740 1.00 30.12 H new ATOM 0 HZ3 LYS A 74 -16.610 1.558 -4.280 1.00 30.12 H new ATOM 1042 N GLY A 75 -12.942 4.318 1.998 1.00 61.32 N ATOM 1043 CA GLY A 75 -13.237 4.874 3.307 1.00 4.42 C ATOM 1044 C GLY A 75 -11.997 5.430 3.990 1.00 22.13 C ATOM 1045 O GLY A 75 -11.993 5.600 5.208 1.00 45.25 O ATOM 0 H GLY A 75 -13.260 4.890 1.216 1.00 61.32 H new ATOM 0 HA2 GLY A 75 -13.979 5.666 3.204 1.00 4.42 H new ATOM 0 HA3 GLY A 75 -13.680 4.102 3.936 1.00 4.42 H new ATOM 1049 N LEU A 76 -10.941 5.698 3.220 1.00 63.44 N ATOM 1050 CA LEU A 76 -9.687 6.181 3.763 1.00 3.30 C ATOM 1051 C LEU A 76 -9.808 7.672 4.051 1.00 50.44 C ATOM 1052 O LEU A 76 -10.631 8.387 3.462 1.00 45.21 O ATOM 1053 CB LEU A 76 -8.520 5.885 2.809 1.00 44.13 C ATOM 1054 CG LEU A 76 -8.429 4.411 2.363 1.00 72.25 C ATOM 1055 CD1 LEU A 76 -7.190 4.211 1.492 1.00 72.15 C ATOM 1056 CD2 LEU A 76 -8.372 3.425 3.531 1.00 54.41 C ATOM 0 H LEU A 76 -10.939 5.584 2.206 1.00 63.44 H new ATOM 0 HA LEU A 76 -9.473 5.658 4.695 1.00 3.30 H new ATOM 0 HB2 LEU A 76 -8.619 6.515 1.925 1.00 44.13 H new ATOM 0 HB3 LEU A 76 -7.586 6.164 3.297 1.00 44.13 H new ATOM 0 HG LEU A 76 -9.342 4.203 1.805 1.00 72.25 H new ATOM 0 HD11 LEU A 76 -7.130 3.169 1.179 1.00 72.15 H new ATOM 0 HD12 LEU A 76 -7.257 4.851 0.612 1.00 72.15 H new ATOM 0 HD13 LEU A 76 -6.298 4.471 2.063 1.00 72.15 H new ATOM 0 HD21 LEU A 76 -8.309 2.407 3.145 1.00 54.41 H new ATOM 0 HD22 LEU A 76 -7.495 3.636 4.143 1.00 54.41 H new ATOM 0 HD23 LEU A 76 -9.271 3.528 4.138 1.00 54.41 H new ATOM 1067 N VAL A 77 -8.945 8.143 4.939 1.00 25.10 N ATOM 1068 CA VAL A 77 -9.051 9.437 5.594 1.00 13.30 C ATOM 1069 C VAL A 77 -7.685 10.127 5.597 1.00 54.54 C ATOM 1070 O VAL A 77 -6.708 9.582 5.070 1.00 71.22 O ATOM 1071 CB VAL A 77 -9.649 9.230 7.006 1.00 5.23 C ATOM 1072 CG1 VAL A 77 -11.096 8.730 6.916 1.00 42.41 C ATOM 1073 CG2 VAL A 77 -8.829 8.246 7.859 1.00 23.22 C ATOM 0 H VAL A 77 -8.123 7.616 5.233 1.00 25.10 H new ATOM 0 HA VAL A 77 -9.724 10.103 5.054 1.00 13.30 H new ATOM 0 HB VAL A 77 -9.621 10.204 7.494 1.00 5.23 H new ATOM 0 HG11 VAL A 77 -11.496 8.591 7.920 1.00 42.41 H new ATOM 0 HG12 VAL A 77 -11.701 9.462 6.382 1.00 42.41 H new ATOM 0 HG13 VAL A 77 -11.120 7.780 6.382 1.00 42.41 H new ATOM 0 HG21 VAL A 77 -9.294 8.139 8.839 1.00 23.22 H new ATOM 0 HG22 VAL A 77 -8.797 7.275 7.364 1.00 23.22 H new ATOM 0 HG23 VAL A 77 -7.814 8.626 7.979 1.00 23.22 H new ATOM 1083 N GLY A 78 -7.619 11.327 6.179 1.00 14.11 N ATOM 1084 CA GLY A 78 -6.376 12.046 6.402 1.00 21.03 C ATOM 1085 C GLY A 78 -5.623 12.344 5.110 1.00 13.24 C ATOM 1086 O GLY A 78 -6.253 12.571 4.072 1.00 71.01 O ATOM 0 H GLY A 78 -8.443 11.828 6.511 1.00 14.11 H new ATOM 0 HA2 GLY A 78 -6.591 12.983 6.916 1.00 21.03 H new ATOM 0 HA3 GLY A 78 -5.737 11.460 7.062 1.00 21.03 H new ATOM 1090 N LYS A 79 -4.294 12.471 5.200 1.00 54.25 N ATOM 1091 CA LYS A 79 -3.426 13.053 4.171 1.00 4.22 C ATOM 1092 C LYS A 79 -2.128 12.266 3.952 1.00 62.31 C ATOM 1093 O LYS A 79 -1.156 12.787 3.390 1.00 63.13 O ATOM 1094 CB LYS A 79 -3.201 14.540 4.501 1.00 12.12 C ATOM 1095 CG LYS A 79 -3.221 15.398 3.229 1.00 25.00 C ATOM 1096 CD LYS A 79 -3.434 16.886 3.537 1.00 52.32 C ATOM 1097 CE LYS A 79 -2.115 17.607 3.830 1.00 52.51 C ATOM 1098 NZ LYS A 79 -2.306 19.065 3.976 1.00 51.14 N ATOM 0 H LYS A 79 -3.775 12.160 6.021 1.00 54.25 H new ATOM 0 HA LYS A 79 -3.926 12.983 3.205 1.00 4.22 H new ATOM 0 HB2 LYS A 79 -3.974 14.884 5.188 1.00 12.12 H new ATOM 0 HB3 LYS A 79 -2.245 14.662 5.010 1.00 12.12 H new ATOM 0 HG2 LYS A 79 -2.281 15.271 2.692 1.00 25.00 H new ATOM 0 HG3 LYS A 79 -4.015 15.048 2.569 1.00 25.00 H new ATOM 0 HD2 LYS A 79 -3.928 17.364 2.691 1.00 52.32 H new ATOM 0 HD3 LYS A 79 -4.100 16.987 4.394 1.00 52.32 H new ATOM 0 HE2 LYS A 79 -1.676 17.205 4.743 1.00 52.51 H new ATOM 0 HE3 LYS A 79 -1.408 17.412 3.024 1.00 52.51 H new ATOM 0 HZ1 LYS A 79 -1.390 19.517 4.174 1.00 51.14 H new ATOM 0 HZ2 LYS A 79 -2.701 19.453 3.096 1.00 51.14 H new ATOM 0 HZ3 LYS A 79 -2.961 19.252 4.762 1.00 51.14 H new ATOM 1108 N ASP A 80 -2.097 10.997 4.352 1.00 64.22 N ATOM 1109 CA ASP A 80 -1.187 10.001 3.788 1.00 52.15 C ATOM 1110 C ASP A 80 -1.881 8.652 3.720 1.00 24.41 C ATOM 1111 O ASP A 80 -3.061 8.529 4.051 1.00 42.41 O ATOM 1112 CB ASP A 80 0.147 9.898 4.541 1.00 44.32 C ATOM 1113 CG ASP A 80 0.072 9.309 5.947 1.00 24.00 C ATOM 1114 OD1 ASP A 80 0.023 8.068 6.086 1.00 22.34 O ATOM 1115 OD2 ASP A 80 0.260 10.071 6.923 1.00 31.40 O ATOM 0 H ASP A 80 -2.707 10.628 5.082 1.00 64.22 H new ATOM 0 HA ASP A 80 -0.932 10.333 2.782 1.00 52.15 H new ATOM 0 HB2 ASP A 80 0.831 9.290 3.949 1.00 44.32 H new ATOM 0 HB3 ASP A 80 0.583 10.895 4.608 1.00 44.32 H new ATOM 1119 N THR A 81 -1.180 7.623 3.255 1.00 13.50 N ATOM 1120 CA THR A 81 -1.643 6.252 3.355 1.00 53.22 C ATOM 1121 C THR A 81 -0.424 5.339 3.546 1.00 52.43 C ATOM 1122 O THR A 81 0.719 5.744 3.298 1.00 3.34 O ATOM 1123 CB THR A 81 -2.476 5.908 2.103 1.00 73.21 C ATOM 1124 OG1 THR A 81 -3.190 7.006 1.561 1.00 41.33 O ATOM 1125 CG2 THR A 81 -3.543 4.873 2.414 1.00 61.41 C ATOM 0 H THR A 81 -0.273 7.721 2.798 1.00 13.50 H new ATOM 0 HA THR A 81 -2.296 6.107 4.216 1.00 53.22 H new ATOM 0 HB THR A 81 -1.729 5.554 1.392 1.00 73.21 H new ATOM 0 HG1 THR A 81 -3.691 6.713 0.772 1.00 41.33 H new ATOM 0 HG21 THR A 81 -4.111 4.654 1.510 1.00 61.41 H new ATOM 0 HG22 THR A 81 -3.070 3.960 2.776 1.00 61.41 H new ATOM 0 HG23 THR A 81 -4.215 5.261 3.180 1.00 61.41 H new ATOM 1133 N ARG A 82 -0.646 4.090 3.963 1.00 62.02 N ATOM 1134 CA ARG A 82 0.376 3.047 4.011 1.00 45.25 C ATOM 1135 C ARG A 82 -0.203 1.763 3.447 1.00 73.31 C ATOM 1136 O ARG A 82 -1.365 1.740 3.052 1.00 10.40 O ATOM 1137 CB ARG A 82 0.914 2.808 5.435 1.00 31.13 C ATOM 1138 CG ARG A 82 1.441 4.079 6.090 1.00 3.53 C ATOM 1139 CD ARG A 82 2.383 3.780 7.255 1.00 22.21 C ATOM 1140 NE ARG A 82 2.570 4.986 8.068 1.00 13.10 N ATOM 1141 CZ ARG A 82 2.670 4.990 9.399 1.00 23.30 C ATOM 1142 NH1 ARG A 82 3.024 3.891 10.064 1.00 14.43 N ATOM 1143 NH2 ARG A 82 2.373 6.104 10.050 1.00 10.44 N ATOM 0 H ARG A 82 -1.561 3.771 4.283 1.00 62.02 H new ATOM 0 HA ARG A 82 1.222 3.379 3.410 1.00 45.25 H new ATOM 0 HB2 ARG A 82 0.120 2.389 6.053 1.00 31.13 H new ATOM 0 HB3 ARG A 82 1.712 2.067 5.397 1.00 31.13 H new ATOM 0 HG2 ARG A 82 1.965 4.679 5.346 1.00 3.53 H new ATOM 0 HG3 ARG A 82 0.602 4.676 6.447 1.00 3.53 H new ATOM 0 HD2 ARG A 82 1.974 2.977 7.868 1.00 22.21 H new ATOM 0 HD3 ARG A 82 3.345 3.433 6.877 1.00 22.21 H new ATOM 0 HE ARG A 82 2.628 5.882 7.584 1.00 13.10 H new ATOM 0 HH11 ARG A 82 3.223 3.029 9.556 1.00 14.43 H new ATOM 0 HH12 ARG A 82 3.096 3.911 11.081 1.00 14.43 H new ATOM 0 HH21 ARG A 82 2.076 6.932 9.534 1.00 10.44 H new ATOM 0 HH22 ARG A 82 2.441 6.134 11.067 1.00 10.44 H new ATOM 1154 N VAL A 83 0.595 0.708 3.462 1.00 4.54 N ATOM 1155 CA VAL A 83 0.211 -0.664 3.216 1.00 54.24 C ATOM 1156 C VAL A 83 0.999 -1.468 4.244 1.00 63.32 C ATOM 1157 O VAL A 83 2.232 -1.426 4.226 1.00 53.11 O ATOM 1158 CB VAL A 83 0.585 -1.043 1.776 1.00 74.13 C ATOM 1159 CG1 VAL A 83 0.143 -2.467 1.424 1.00 13.45 C ATOM 1160 CG2 VAL A 83 -0.037 -0.105 0.730 1.00 71.25 C ATOM 0 H VAL A 83 1.592 0.798 3.660 1.00 4.54 H new ATOM 0 HA VAL A 83 -0.859 -0.846 3.313 1.00 54.24 H new ATOM 0 HB VAL A 83 1.671 -0.959 1.744 1.00 74.13 H new ATOM 0 HG11 VAL A 83 0.428 -2.693 0.396 1.00 13.45 H new ATOM 0 HG12 VAL A 83 0.625 -3.175 2.098 1.00 13.45 H new ATOM 0 HG13 VAL A 83 -0.939 -2.548 1.527 1.00 13.45 H new ATOM 0 HG21 VAL A 83 0.263 -0.423 -0.268 1.00 71.25 H new ATOM 0 HG22 VAL A 83 -1.123 -0.140 0.811 1.00 71.25 H new ATOM 0 HG23 VAL A 83 0.307 0.914 0.905 1.00 71.25 H new ATOM 1170 N PHE A 84 0.307 -2.151 5.155 1.00 65.02 N ATOM 1171 CA PHE A 84 0.903 -3.208 5.966 1.00 5.21 C ATOM 1172 C PHE A 84 0.601 -4.508 5.221 1.00 34.21 C ATOM 1173 O PHE A 84 -0.525 -4.993 5.270 1.00 4.34 O ATOM 1174 CB PHE A 84 0.314 -3.206 7.390 1.00 53.33 C ATOM 1175 CG PHE A 84 0.584 -1.986 8.268 1.00 5.43 C ATOM 1176 CD1 PHE A 84 1.680 -1.138 8.021 1.00 24.11 C ATOM 1177 CD2 PHE A 84 -0.243 -1.716 9.375 1.00 71.12 C ATOM 1178 CE1 PHE A 84 1.920 -0.017 8.834 1.00 12.44 C ATOM 1179 CE2 PHE A 84 0.022 -0.625 10.221 1.00 61.02 C ATOM 1180 CZ PHE A 84 1.093 0.243 9.941 1.00 62.32 C ATOM 0 H PHE A 84 -0.681 -1.987 5.350 1.00 65.02 H new ATOM 0 HA PHE A 84 1.977 -3.072 6.095 1.00 5.21 H new ATOM 0 HB2 PHE A 84 -0.766 -3.327 7.306 1.00 53.33 H new ATOM 0 HB3 PHE A 84 0.693 -4.085 7.911 1.00 53.33 H new ATOM 0 HD1 PHE A 84 2.345 -1.351 7.197 1.00 24.11 H new ATOM 0 HD2 PHE A 84 -1.091 -2.354 9.576 1.00 71.12 H new ATOM 0 HE1 PHE A 84 2.742 0.646 8.608 1.00 12.44 H new ATOM 0 HE2 PHE A 84 -0.598 -0.453 11.088 1.00 61.02 H new ATOM 0 HZ PHE A 84 1.278 1.101 10.570 1.00 62.32 H new ATOM 1189 N ILE A 85 1.554 -5.033 4.454 1.00 14.13 N ATOM 1190 CA ILE A 85 1.444 -6.418 3.998 1.00 31.04 C ATOM 1191 C ILE A 85 1.915 -7.233 5.195 1.00 63.40 C ATOM 1192 O ILE A 85 2.998 -6.945 5.707 1.00 30.01 O ATOM 1193 CB ILE A 85 2.286 -6.702 2.733 1.00 22.03 C ATOM 1194 CG1 ILE A 85 1.968 -5.682 1.620 1.00 73.21 C ATOM 1195 CG2 ILE A 85 2.015 -8.131 2.223 1.00 21.21 C ATOM 1196 CD1 ILE A 85 2.644 -5.999 0.280 1.00 74.30 C ATOM 0 H ILE A 85 2.389 -4.538 4.142 1.00 14.13 H new ATOM 0 HA ILE A 85 0.428 -6.668 3.692 1.00 31.04 H new ATOM 0 HB ILE A 85 3.339 -6.608 2.999 1.00 22.03 H new ATOM 0 HG12 ILE A 85 0.889 -5.644 1.472 1.00 73.21 H new ATOM 0 HG13 ILE A 85 2.280 -4.691 1.948 1.00 73.21 H new ATOM 0 HG21 ILE A 85 2.614 -8.319 1.332 1.00 21.21 H new ATOM 0 HG22 ILE A 85 2.281 -8.850 2.997 1.00 21.21 H new ATOM 0 HG23 ILE A 85 0.958 -8.236 1.979 1.00 21.21 H new ATOM 0 HD11 ILE A 85 2.374 -5.239 -0.453 1.00 74.30 H new ATOM 0 HD12 ILE A 85 3.726 -6.008 0.411 1.00 74.30 H new ATOM 0 HD13 ILE A 85 2.313 -6.976 -0.072 1.00 74.30 H new ATOM 1207 N GLU A 86 1.134 -8.223 5.610 1.00 41.21 N ATOM 1208 CA GLU A 86 1.452 -9.187 6.652 1.00 34.11 C ATOM 1209 C GLU A 86 0.851 -10.517 6.204 1.00 23.32 C ATOM 1210 O GLU A 86 -0.036 -10.550 5.345 1.00 65.21 O ATOM 1211 CB GLU A 86 0.932 -8.725 8.031 1.00 12.11 C ATOM 1212 CG GLU A 86 -0.586 -8.468 8.075 1.00 44.12 C ATOM 1213 CD GLU A 86 -1.104 -7.938 9.424 1.00 64.23 C ATOM 1214 OE1 GLU A 86 -0.319 -7.712 10.375 1.00 45.01 O ATOM 1215 OE2 GLU A 86 -2.329 -7.703 9.555 1.00 70.03 O ATOM 0 H GLU A 86 0.211 -8.382 5.205 1.00 41.21 H new ATOM 0 HA GLU A 86 2.529 -9.290 6.785 1.00 34.11 H new ATOM 0 HB2 GLU A 86 1.184 -9.481 8.775 1.00 12.11 H new ATOM 0 HB3 GLU A 86 1.453 -7.811 8.317 1.00 12.11 H new ATOM 0 HG2 GLU A 86 -0.843 -7.752 7.295 1.00 44.12 H new ATOM 0 HG3 GLU A 86 -1.106 -9.397 7.840 1.00 44.12 H new ATOM 1220 N LEU A 87 1.372 -11.621 6.732 1.00 13.25 N ATOM 1221 CA LEU A 87 0.827 -12.927 6.473 1.00 1.23 C ATOM 1222 C LEU A 87 -0.433 -13.088 7.268 1.00 24.13 C ATOM 1223 O LEU A 87 -0.622 -12.486 8.329 1.00 22.14 O ATOM 1224 CB LEU A 87 1.774 -14.077 6.850 1.00 12.12 C ATOM 1225 CG LEU A 87 2.885 -14.332 5.843 1.00 73.54 C ATOM 1226 CD1 LEU A 87 3.621 -13.143 5.340 1.00 45.24 C ATOM 1227 CD2 LEU A 87 3.880 -15.377 6.357 1.00 1.25 C ATOM 0 H LEU A 87 2.184 -11.623 7.350 1.00 13.25 H new ATOM 0 HA LEU A 87 0.654 -12.985 5.398 1.00 1.23 H new ATOM 0 HB2 LEU A 87 2.222 -13.859 7.820 1.00 12.12 H new ATOM 0 HB3 LEU A 87 1.189 -14.990 6.966 1.00 12.12 H new ATOM 0 HG LEU A 87 2.340 -14.707 4.977 1.00 73.54 H new ATOM 0 HD11 LEU A 87 4.385 -13.461 4.630 1.00 45.24 H new ATOM 0 HD12 LEU A 87 2.924 -12.467 4.844 1.00 45.24 H new ATOM 0 HD13 LEU A 87 4.094 -12.628 6.176 1.00 45.24 H new ATOM 0 HD21 LEU A 87 4.660 -15.534 5.612 1.00 1.25 H new ATOM 0 HD22 LEU A 87 4.330 -15.025 7.285 1.00 1.25 H new ATOM 0 HD23 LEU A 87 3.359 -16.317 6.540 1.00 1.25 H new ATOM 1238 N ASP A 88 -1.220 -14.031 6.789 1.00 41.12 N ATOM 1239 CA ASP A 88 -2.377 -14.502 7.515 1.00 51.41 C ATOM 1240 C ASP A 88 -2.593 -15.985 7.264 1.00 62.11 C ATOM 1241 O ASP A 88 -1.860 -16.601 6.487 1.00 73.00 O ATOM 1242 CB ASP A 88 -3.588 -13.637 7.146 1.00 34.12 C ATOM 1243 CG ASP A 88 -4.086 -12.838 8.343 1.00 70.32 C ATOM 1244 OD1 ASP A 88 -4.215 -13.407 9.456 1.00 22.42 O ATOM 1245 OD2 ASP A 88 -4.435 -11.649 8.158 1.00 65.10 O ATOM 0 H ASP A 88 -1.074 -14.489 5.889 1.00 41.12 H new ATOM 0 HA ASP A 88 -2.222 -14.401 8.589 1.00 51.41 H new ATOM 0 HB2 ASP A 88 -3.318 -12.956 6.339 1.00 34.12 H new ATOM 0 HB3 ASP A 88 -4.390 -14.273 6.772 1.00 34.12 H new ATOM 1249 N GLU A 89 -3.603 -16.528 7.939 1.00 62.02 N ATOM 1250 CA GLU A 89 -4.095 -17.895 7.971 1.00 34.05 C ATOM 1251 C GLU A 89 -2.973 -18.914 8.130 1.00 21.43 C ATOM 1252 O GLU A 89 -2.717 -19.374 9.245 1.00 43.13 O ATOM 1253 CB GLU A 89 -5.127 -18.187 6.857 1.00 62.14 C ATOM 1254 CG GLU A 89 -4.956 -17.505 5.484 1.00 5.54 C ATOM 1255 CD GLU A 89 -6.167 -17.698 4.557 1.00 32.04 C ATOM 1256 OE1 GLU A 89 -6.910 -18.702 4.710 1.00 3.52 O ATOM 1257 OE2 GLU A 89 -6.464 -16.796 3.737 1.00 4.51 O ATOM 0 H GLU A 89 -4.165 -15.939 8.554 1.00 62.02 H new ATOM 0 HA GLU A 89 -4.678 -18.014 8.884 1.00 34.05 H new ATOM 0 HB2 GLU A 89 -5.136 -19.264 6.691 1.00 62.14 H new ATOM 0 HB3 GLU A 89 -6.111 -17.915 7.240 1.00 62.14 H new ATOM 0 HG2 GLU A 89 -4.788 -16.439 5.634 1.00 5.54 H new ATOM 0 HG3 GLU A 89 -4.066 -17.903 4.996 1.00 5.54 H new ATOM 1262 N ASN A 90 -2.310 -19.271 7.041 1.00 51.52 N ATOM 1263 CA ASN A 90 -1.258 -20.281 6.974 1.00 11.34 C ATOM 1264 C ASN A 90 -0.082 -19.829 6.110 1.00 70.43 C ATOM 1265 O ASN A 90 0.522 -20.658 5.422 1.00 12.52 O ATOM 1266 CB ASN A 90 -1.822 -21.657 6.587 1.00 54.31 C ATOM 1267 CG ASN A 90 -2.662 -21.691 5.344 1.00 62.12 C ATOM 1268 OD1 ASN A 90 -3.865 -21.435 5.397 1.00 21.02 O ATOM 1269 ND2 ASN A 90 -2.099 -22.129 4.249 1.00 3.25 N ATOM 0 H ASN A 90 -2.498 -18.845 6.134 1.00 51.52 H new ATOM 0 HA ASN A 90 -0.845 -20.401 7.976 1.00 11.34 H new ATOM 0 HB2 ASN A 90 -0.988 -22.348 6.459 1.00 54.31 H new ATOM 0 HB3 ASN A 90 -2.421 -22.030 7.418 1.00 54.31 H new ATOM 0 HD21 ASN A 90 -2.659 -22.267 3.408 1.00 3.25 H new ATOM 0 HD22 ASN A 90 -1.100 -22.333 4.236 1.00 3.25 H new ATOM 1275 N ALA A 91 0.316 -18.566 6.272 1.00 23.45 N ATOM 1276 CA ALA A 91 1.368 -17.854 5.557 1.00 12.11 C ATOM 1277 C ALA A 91 0.896 -17.494 4.152 1.00 13.21 C ATOM 1278 O ALA A 91 1.581 -17.738 3.161 1.00 43.43 O ATOM 1279 CB ALA A 91 2.710 -18.607 5.591 1.00 14.22 C ATOM 0 H ALA A 91 -0.130 -17.967 6.967 1.00 23.45 H new ATOM 0 HA ALA A 91 1.569 -16.916 6.074 1.00 12.11 H new ATOM 0 HB1 ALA A 91 3.461 -18.036 5.045 1.00 14.22 H new ATOM 0 HB2 ALA A 91 3.031 -18.733 6.625 1.00 14.22 H new ATOM 0 HB3 ALA A 91 2.590 -19.586 5.127 1.00 14.22 H new ATOM 1285 N ASP A 92 -0.291 -16.898 4.086 1.00 52.44 N ATOM 1286 CA ASP A 92 -0.892 -16.356 2.870 1.00 23.03 C ATOM 1287 C ASP A 92 -0.596 -14.866 2.824 1.00 72.44 C ATOM 1288 O ASP A 92 0.116 -14.367 3.690 1.00 71.02 O ATOM 1289 CB ASP A 92 -2.394 -16.630 2.836 1.00 51.41 C ATOM 1290 CG ASP A 92 -2.666 -18.085 2.469 1.00 74.31 C ATOM 1291 OD1 ASP A 92 -2.602 -18.980 3.340 1.00 23.22 O ATOM 1292 OD2 ASP A 92 -2.947 -18.356 1.277 1.00 30.22 O ATOM 0 H ASP A 92 -0.883 -16.774 4.908 1.00 52.44 H new ATOM 0 HA ASP A 92 -0.467 -16.840 1.991 1.00 23.03 H new ATOM 0 HB2 ASP A 92 -2.832 -16.407 3.809 1.00 51.41 H new ATOM 0 HB3 ASP A 92 -2.873 -15.971 2.112 1.00 51.41 H new ATOM 1296 N VAL A 93 -1.102 -14.138 1.826 1.00 61.44 N ATOM 1297 CA VAL A 93 -0.590 -12.814 1.507 1.00 33.32 C ATOM 1298 C VAL A 93 -1.692 -11.774 1.598 1.00 41.21 C ATOM 1299 O VAL A 93 -2.238 -11.335 0.584 1.00 31.43 O ATOM 1300 CB VAL A 93 0.092 -12.840 0.131 1.00 65.24 C ATOM 1301 CG1 VAL A 93 0.759 -11.492 -0.173 1.00 54.34 C ATOM 1302 CG2 VAL A 93 1.160 -13.932 0.079 1.00 62.24 C ATOM 0 H VAL A 93 -1.867 -14.448 1.227 1.00 61.44 H new ATOM 0 HA VAL A 93 0.164 -12.527 2.240 1.00 33.32 H new ATOM 0 HB VAL A 93 -0.680 -13.042 -0.612 1.00 65.24 H new ATOM 0 HG11 VAL A 93 1.235 -11.534 -1.152 1.00 54.34 H new ATOM 0 HG12 VAL A 93 0.006 -10.704 -0.170 1.00 54.34 H new ATOM 0 HG13 VAL A 93 1.511 -11.278 0.587 1.00 54.34 H new ATOM 0 HG21 VAL A 93 1.631 -13.934 -0.904 1.00 62.24 H new ATOM 0 HG22 VAL A 93 1.914 -13.740 0.842 1.00 62.24 H new ATOM 0 HG23 VAL A 93 0.698 -14.902 0.261 1.00 62.24 H new ATOM 1312 N GLN A 94 -1.966 -11.327 2.816 1.00 30.21 N ATOM 1313 CA GLN A 94 -3.004 -10.330 3.039 1.00 61.43 C ATOM 1314 C GLN A 94 -2.448 -8.914 3.060 1.00 4.41 C ATOM 1315 O GLN A 94 -1.243 -8.672 3.210 1.00 25.13 O ATOM 1316 CB GLN A 94 -3.850 -10.671 4.275 1.00 53.44 C ATOM 1317 CG GLN A 94 -4.905 -11.781 4.094 1.00 33.03 C ATOM 1318 CD GLN A 94 -4.923 -12.497 2.749 1.00 50.50 C ATOM 1319 OE1 GLN A 94 -5.343 -11.941 1.740 1.00 65.24 O ATOM 1320 NE2 GLN A 94 -4.486 -13.742 2.703 1.00 1.55 N ATOM 0 H GLN A 94 -1.487 -11.637 3.661 1.00 30.21 H new ATOM 0 HA GLN A 94 -3.681 -10.361 2.185 1.00 61.43 H new ATOM 0 HB2 GLN A 94 -3.177 -10.966 5.080 1.00 53.44 H new ATOM 0 HB3 GLN A 94 -4.359 -9.765 4.602 1.00 53.44 H new ATOM 0 HG2 GLN A 94 -4.751 -12.527 4.874 1.00 33.03 H new ATOM 0 HG3 GLN A 94 -5.890 -11.344 4.260 1.00 33.03 H new ATOM 0 HE21 GLN A 94 -4.139 -14.192 3.550 1.00 1.55 H new ATOM 0 HE22 GLN A 94 -4.495 -14.253 1.821 1.00 1.55 H new ATOM 1327 N VAL A 95 -3.340 -7.977 2.798 1.00 70.04 N ATOM 1328 CA VAL A 95 -3.173 -6.542 2.862 1.00 14.54 C ATOM 1329 C VAL A 95 -3.982 -6.044 4.033 1.00 63.24 C ATOM 1330 O VAL A 95 -5.193 -6.255 4.129 1.00 41.32 O ATOM 1331 CB VAL A 95 -3.375 -5.789 1.548 1.00 11.12 C ATOM 1332 CG1 VAL A 95 -4.564 -6.259 0.765 1.00 70.03 C ATOM 1333 CG2 VAL A 95 -3.021 -4.306 1.760 1.00 52.54 C ATOM 0 H VAL A 95 -4.286 -8.227 2.509 1.00 70.04 H new ATOM 0 HA VAL A 95 -2.121 -6.315 3.033 1.00 14.54 H new ATOM 0 HB VAL A 95 -2.664 -6.048 0.763 1.00 11.12 H new ATOM 0 HG11 VAL A 95 -4.646 -5.680 -0.155 1.00 70.03 H new ATOM 0 HG12 VAL A 95 -4.445 -7.314 0.520 1.00 70.03 H new ATOM 0 HG13 VAL A 95 -5.468 -6.124 1.360 1.00 70.03 H new ATOM 0 HG21 VAL A 95 -3.162 -3.761 0.827 1.00 52.54 H new ATOM 0 HG22 VAL A 95 -3.668 -3.884 2.528 1.00 52.54 H new ATOM 0 HG23 VAL A 95 -1.981 -4.222 2.075 1.00 52.54 H new ATOM 1343 N PHE A 96 -3.291 -5.339 4.903 1.00 44.41 N ATOM 1344 CA PHE A 96 -3.823 -4.585 6.000 1.00 62.31 C ATOM 1345 C PHE A 96 -3.381 -3.137 5.827 1.00 50.31 C ATOM 1346 O PHE A 96 -2.483 -2.810 5.039 1.00 31.42 O ATOM 1347 CB PHE A 96 -3.315 -5.191 7.316 1.00 42.22 C ATOM 1348 CG PHE A 96 -4.254 -4.923 8.471 1.00 3.12 C ATOM 1349 CD1 PHE A 96 -4.143 -3.768 9.269 1.00 61.04 C ATOM 1350 CD2 PHE A 96 -5.315 -5.813 8.686 1.00 64.43 C ATOM 1351 CE1 PHE A 96 -5.099 -3.507 10.271 1.00 5.44 C ATOM 1352 CE2 PHE A 96 -6.235 -5.579 9.722 1.00 32.20 C ATOM 1353 CZ PHE A 96 -6.128 -4.429 10.519 1.00 53.32 C ATOM 0 H PHE A 96 -2.274 -5.279 4.852 1.00 44.41 H new ATOM 0 HA PHE A 96 -4.912 -4.617 6.024 1.00 62.31 H new ATOM 0 HB2 PHE A 96 -3.191 -6.267 7.194 1.00 42.22 H new ATOM 0 HB3 PHE A 96 -2.332 -4.781 7.547 1.00 42.22 H new ATOM 0 HD1 PHE A 96 -3.324 -3.081 9.113 1.00 61.04 H new ATOM 0 HD2 PHE A 96 -5.426 -6.681 8.053 1.00 64.43 H new ATOM 0 HE1 PHE A 96 -5.040 -2.596 10.849 1.00 5.44 H new ATOM 0 HE2 PHE A 96 -7.029 -6.288 9.906 1.00 32.20 H new ATOM 0 HZ PHE A 96 -6.833 -4.254 11.318 1.00 53.32 H new ATOM 1362 N ILE A 97 -3.975 -2.242 6.604 1.00 70.23 N ATOM 1363 CA ILE A 97 -3.591 -0.846 6.652 1.00 50.31 C ATOM 1364 C ILE A 97 -3.830 -0.308 8.058 1.00 54.31 C ATOM 1365 O ILE A 97 -4.780 -0.732 8.714 1.00 25.23 O ATOM 1366 CB ILE A 97 -4.368 -0.021 5.601 1.00 64.24 C ATOM 1367 CG1 ILE A 97 -5.827 -0.480 5.404 1.00 54.35 C ATOM 1368 CG2 ILE A 97 -3.619 -0.026 4.262 1.00 61.31 C ATOM 1369 CD1 ILE A 97 -6.591 0.502 4.520 1.00 33.22 C ATOM 0 H ILE A 97 -4.749 -2.473 7.227 1.00 70.23 H new ATOM 0 HA ILE A 97 -2.531 -0.758 6.412 1.00 50.31 H new ATOM 0 HB ILE A 97 -4.423 0.995 5.991 1.00 64.24 H new ATOM 0 HG12 ILE A 97 -5.843 -1.471 4.951 1.00 54.35 H new ATOM 0 HG13 ILE A 97 -6.320 -0.564 6.372 1.00 54.35 H new ATOM 0 HG21 ILE A 97 -4.177 0.559 3.531 1.00 61.31 H new ATOM 0 HG22 ILE A 97 -2.630 0.411 4.397 1.00 61.31 H new ATOM 0 HG23 ILE A 97 -3.517 -1.051 3.906 1.00 61.31 H new ATOM 0 HD11 ILE A 97 -7.617 0.157 4.396 1.00 33.22 H new ATOM 0 HD12 ILE A 97 -6.593 1.487 4.988 1.00 33.22 H new ATOM 0 HD13 ILE A 97 -6.109 0.565 3.545 1.00 33.22 H new ATOM 1380 N PRO A 98 -3.002 0.641 8.521 1.00 12.44 N ATOM 1381 CA PRO A 98 -3.281 1.369 9.740 1.00 21.11 C ATOM 1382 C PRO A 98 -4.555 2.180 9.510 1.00 5.21 C ATOM 1383 O PRO A 98 -4.611 3.011 8.602 1.00 64.45 O ATOM 1384 CB PRO A 98 -2.050 2.233 10.017 1.00 62.22 C ATOM 1385 CG PRO A 98 -1.394 2.401 8.647 1.00 52.25 C ATOM 1386 CD PRO A 98 -1.810 1.158 7.864 1.00 24.13 C ATOM 0 HA PRO A 98 -3.456 0.735 10.609 1.00 21.11 H new ATOM 0 HB2 PRO A 98 -2.328 3.196 10.446 1.00 62.22 H new ATOM 0 HB3 PRO A 98 -1.376 1.751 10.725 1.00 62.22 H new ATOM 0 HG2 PRO A 98 -1.734 3.312 8.154 1.00 52.25 H new ATOM 0 HG3 PRO A 98 -0.310 2.471 8.733 1.00 52.25 H new ATOM 0 HD2 PRO A 98 -2.016 1.405 6.823 1.00 24.13 H new ATOM 0 HD3 PRO A 98 -1.013 0.414 7.863 1.00 24.13 H new ATOM 1391 N GLN A 99 -5.591 1.893 10.292 1.00 21.44 N ATOM 1392 CA GLN A 99 -6.893 2.544 10.265 1.00 50.53 C ATOM 1393 C GLN A 99 -7.313 2.794 11.720 1.00 5.33 C ATOM 1394 O GLN A 99 -6.493 2.660 12.633 1.00 5.14 O ATOM 1395 CB GLN A 99 -7.891 1.657 9.498 1.00 54.35 C ATOM 1396 CG GLN A 99 -7.627 1.505 7.992 1.00 73.33 C ATOM 1397 CD GLN A 99 -7.873 2.796 7.214 1.00 32.12 C ATOM 1398 OE1 GLN A 99 -8.995 3.108 6.839 1.00 1.41 O ATOM 1399 NE2 GLN A 99 -6.837 3.577 6.958 1.00 52.32 N ATOM 0 H GLN A 99 -5.540 1.160 10.999 1.00 21.44 H new ATOM 0 HA GLN A 99 -6.862 3.501 9.744 1.00 50.53 H new ATOM 0 HB2 GLN A 99 -7.889 0.665 9.950 1.00 54.35 H new ATOM 0 HB3 GLN A 99 -8.892 2.067 9.633 1.00 54.35 H new ATOM 0 HG2 GLN A 99 -6.596 1.185 7.839 1.00 73.33 H new ATOM 0 HG3 GLN A 99 -8.268 0.718 7.593 1.00 73.33 H new ATOM 0 HE21 GLN A 99 -5.905 3.309 7.275 1.00 52.32 H new ATOM 0 HE22 GLN A 99 -6.970 4.448 6.444 1.00 52.32 H new